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

C16H16N4O — CID 110858108

IUPACN-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc2ccnn12
InChIInChI=1S/C16H16N4O/c1-11(2)12-5-3-4-6-13(12)19-16(21)14-7-9-17-15-8-10-18-20(14)15/h3-11H,1-2H3,(H,19,21)
InChIKeyMTRDNDIJXJXYRW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds3

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

N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110858108) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110858108
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc2ccnn12
InChIInChI=1S/C16H16N4O/c1-11(2)12-5-3-4-6-13(12)19-16(21)14-7-9-17-15-8-10-18-20(14)15/h3-11H,1-2H3,(H,19,21)
InChIKeyMTRDNDIJXJXYRW-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-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858618
N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851024
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927
N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110862990
2,3-dimethyl-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858100
1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110858040
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110864014
2-morpholin-4-yl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 84576378
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110858108) is N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc2ccnn12.
What is the InChIKey of N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is MTRDNDIJXJXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)12-5-3-4-6-13(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-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(2-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-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110858108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).