N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16N6O2 — CID 1247949

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(NC(=O)c2cnn3cccnc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16N6O2/c1-12-15(18(26)24(22(12)2)13-7-4-3-5-8-13)21-17(25)14-11-20-23-10-6-9-19-16(14)23/h3-11H,1-2H3,(H,21,25)
InChIKeyKDUQPZFLCLZUCZ-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.78
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1247949) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1247949
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(NC(=O)c2cnn3cccnc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16N6O2/c1-12-15(18(26)24(22(12)2)13-7-4-3-5-8-13)21-17(25)14-11-20-23-10-6-9-19-16(14)23/h3-11H,1-2H3,(H,21,25)
InChIKeyKDUQPZFLCLZUCZ-UHFFFAOYSA-N
XLogP1.78
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1247949) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(NC(=O)c2cnn3cccnc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KDUQPZFLCLZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-12-15(18(26)24(22(12)2)13-7-4-3-5-8-13)21-17(25)14-11-20-23-10-6-9-19-16(14)23/h3-11H,1-2H3,(H,21,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1247949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).