CAS
916791-93-0 Purity
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916791-93-0 Purity
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3-(4-Nitrophenyl)-1H-pyrazol-5-amine
CAS
916792-02-4
Catalog Number
ACM916792024
Category
Other Products
Molecular Weight
204.185420 [g/mol]
Molecular Formula
C9H8N4O2
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Specification
Synonyms
3-(4-Nitrophenyl)-1H-pyrazol-5-amine, 78583-83-2, 5-(4-Nitrophenyl)-2H-pyrazol-3-ylamine, 5-(4-nitrophenyl)-1H-pyrazol-3-amine, 5-Amino-3-(4-nitrophenyl)-1H-pyrazole, 5-(4-nitrophenyl)-2h-pyrazole-3yl-amine, 916792-02-4, ZINC04237527, zlchem 776, PubChem7844, AC1NFRBG, SureCN3499497, AC1Q537S, CTK5E5935, ZLD0235, MolPort-000-005-106, WT663, ACT06112, ANW-61667, BBL020537
IUPAC Name
5-(4-nitrophenyl)-1H-pyrazol-3-amine
Canonical SMILES
C1=CC(=CC=C1C2=CC(=NN2)N)[N+](=O)[O-]
InChI Key
UTUMMZUJYKIHOB-UHFFFAOYSA-N
Exact Mass
204.06500
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8N4O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 204.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-nitrophenyl)-1H-pyrazol-3-amine.
What is the CAS number of the compound?
The CAS number of the compound is 78583-83-2.
What is the InChIKey of the compound?
The InChIKey of the compound is UTUMMZUJYKIHOB-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.4.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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