5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16N4O — CID 4151649

IUPAC5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccccc3C)c2n1
InChIInChI=1S/C16H16N4O/c1-10-6-4-5-7-14(10)19-16(21)13-9-17-20-12(3)8-11(2)18-15(13)20/h4-9H,1-3H3,(H,19,21)
InChIKeyCGRNXIVXFQQADA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.91
Rot. Bonds2

About 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4151649) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4151649
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccccc3C)c2n1
InChIInChI=1S/C16H16N4O/c1-10-6-4-5-7-14(10)19-16(21)13-9-17-20-12(3)8-11(2)18-15(13)20/h4-9H,1-3H3,(H,19,21)
InChIKeyCGRNXIVXFQQADA-UHFFFAOYSA-N
XLogP2.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4151649) is 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccccc3C)c2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CGRNXIVXFQQADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-6-4-5-7-14(10)19-16(21)13-9-17-20-12(3)8-11(2)18-15(13)20/h4-9H,1-3H3,(H,19,21).
What are the key properties of 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4151649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).