3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H13N5O — CID 936528

IUPAC3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1C#N
InChIInChI=1S/C16H13N5O/c1-10-13(8-17)15-18-9-14(11(2)21(15)20-10)16(22)19-12-6-4-3-5-7-12/h3-7,9H,1-2H3,(H,19,22)
InChIKeyJUQDCINCDXJPJW-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.47
Rot. Bonds2

About 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 936528) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID936528
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1C#N
InChIInChI=1S/C16H13N5O/c1-10-13(8-17)15-18-9-14(11(2)21(15)20-10)16(22)19-12-6-4-3-5-7-12/h3-7,9H,1-2H3,(H,19,22)
InChIKeyJUQDCINCDXJPJW-UHFFFAOYSA-N
XLogP2.47
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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US10774086, Example 2
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 936528) is 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1C#N.
What is the InChIKey of 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JUQDCINCDXJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-10-13(8-17)15-18-9-14(11(2)21(15)20-10)16(22)19-12-6-4-3-5-7-12/h3-7,9H,1-2H3,(H,19,22).
What are the key properties of 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 936528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).