CAS
98487-33-3 Purity
96%
98487-33-3 Purity
96%
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Pyrazolo[1,5-a]pyrimidin-7(4H)-one,2,5-dimethyl-
CAS
98488-10-9
Catalog Number
ACM98488109
Category
Other Products
Molecular Weight
163.18
Molecular Formula
C8H9N3O
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
ZINC05225456, 98488-10-9
IUPAC Name
2,5-dimethyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one
SMILES
CC1=CC2=NC(=CC(=O)N2N1)C
InChI Key
NDIGHUFWEHMPCD-UHFFFAOYSA-O
Boiling Point
266.3ºC at 760mmHg
Melting Point
252-254ºC
Flash Point
114.9ºC
Density
1.35g/cm³
Exact Mass
163.07500
H-Bond Acceptor
2
H-Bond Donor
2
Safety Description
22-24/25
What is the molecular formula of Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
The molecular formula is C8H9N3O.
What is the molecular weight of Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
The molecular weight is 163.18 g/mol.
What is the IUPAC name of Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
The IUPAC name is 2,5-dimethyl-6H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the InChI of Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
The InChI is InChI=1S/C8H9N3O/c1-5-4-8(12)11-7(9-5)3-6(2)10-11/h3H,4H2,1-2H3.
What is the InChIKey of Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
The InChIKey is ZTVBGXSMYFNICI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
The topological polar surface area is 47.2Ų.
How many heavy atoms are present in Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl?
There are 12 heavy atoms in the compound.
Is Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl a canonicalized compound?
Yes, the compound is canonicalized.
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