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

C17H14N6O — CID 1247796

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24)
InChIKeyMCBSZIDQUDBWTG-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.48
Rot. Bonds3

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

N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1247796) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1247796
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24)
InChIKeyMCBSZIDQUDBWTG-UHFFFAOYSA-N
XLogP2.48
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 46907762
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1247796) is N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MCBSZIDQUDBWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).