N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C16H16N4O — CID 110858177

IUPACN-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccnc3ccnn23)cc1
InChIInChI=1S/C16H16N4O/c1-11(2)12-3-5-13(6-4-12)19-16(21)14-7-9-17-15-8-10-18-20(14)15/h3-11H,1-2H3,(H,19,21)
InChIKeyPUPZIQXYYMPPKL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds3

About N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110858177) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110858177
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccnc3ccnn23)cc1
InChIInChI=1S/C16H16N4O/c1-11(2)12-3-5-13(6-4-12)19-16(21)14-7-9-17-15-8-10-18-20(14)15/h3-11H,1-2H3,(H,19,21)
InChIKeyPUPZIQXYYMPPKL-UHFFFAOYSA-N
XLogP3.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110864014
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 126822339
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110858177) is N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(C)c1ccc(NC(=O)c2ccnc3ccnn23)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PUPZIQXYYMPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)12-3-5-13(6-4-12)19-16(21)14-7-9-17-15-8-10-18-20(14)15/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110858177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).