N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H16N4O — CID 53040898

IUPACN-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2)nc2ccnn12
InChIInChI=1S/C16H16N4O/c1-11(2)14-10-13(19-15-8-9-17-20(14)15)16(21)18-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyXKUPOEQTRZOSFG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds3

About N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040898) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040898
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2)nc2ccnn12
InChIInChI=1S/C16H16N4O/c1-11(2)14-10-13(19-15-8-9-17-20(14)15)16(21)18-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyXKUPOEQTRZOSFG-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

N-(3-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040846
N-(2-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040848
7-ethyl-N-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040834
N-(4-acetylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110861224
morpholin-4-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53015026
N-phenyl-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68614845
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179890
N-phenyl-7-(propan-2-ylamino)imidazo[1,2-a]pyridine-2-carboxamide
CID 163902440
6-(1-hydroxyethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;N-phenyl-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 158129245
N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040792
N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
CID 145256421

Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040898) is N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)Nc2ccccc2)nc2ccnn12.
What is the InChIKey of N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XKUPOEQTRZOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)14-10-13(19-15-8-9-17-20(14)15)16(21)18-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21).
What are the key properties of N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-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-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).