1H-Pyrazole-4-carboxaldehyde,5-methyl-1-phenyl-

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CAS
98700-50-6
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Purity
96%
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Catalog Number

ACM98700506

Product Name

1H-Pyrazole-4-carboxaldehyde,5-methyl-1-phenyl-

Structure

Structure

CAS

98700-50-6

Category

Heterocyclic Organic Compound

Synonyms

5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde, 98700-50-6, 5-methyl-1-phenylpyrazole-4-carbaldehyde, 5-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, ZINC00158816, AC1MCQYZ, ACMC-20am2d, AC1Q2EVU, CTK5I0033, MolPort-000-142-531, SBB090435, AKOS009158865, AG-A-86284, AG-I-00230, CC15504, RP03447, BP-10380, KB-43690, FT-0620591, Y4887

IUPAC Name

5-methyl-1-phenylpyrazole-4-carbaldehyde

Molecular Weight

186.21

Molecular Formula

C₁₁H₁₀N₂O

Canonical SMILES

CC1=C(C=NN1C2=CC=CC=C2)C=O

InChI Key

IIEFFVFWBUGUTI-UHFFFAOYSA-N

Boiling Point

326.5ºC at 760mmHg

Melting Point

76ºC

Flash Point

151.3ºC

Density

1.13g/cm³

Exact Mass

186.07900

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The molecular formula is C11H10N2O.

What is the molecular weight of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The molecular weight is 186.21 g/mol

What is the IUPAC name of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The IUPAC name is 5-methyl-1-phenylpyrazole-4-carbaldehyde.

What is the InChI of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The InChI is InChI=1S/C11H10N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-8H,1H3.

What is the InChIKey of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The InChIKey is IIEFFVFWBUGUTI-UHFFFAOYSA-N.

What is the Canonical SMILES of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The Canonical SMILES is CC1=C(C=NN1C2=CC=CC=C2)C=O.

What is the CAS number for 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The CAS number is 98700-50-6.

How many hydrogen bond acceptors are there in 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

There are 2 hydrogen bond acceptors.

What is the topological polar surface area of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?

The topological polar surface area is 34.9 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

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