N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H14N6O — CID 19440185

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cc2ncccn2n1
InChIInChI=1S/C17H14N6O/c24-17(15-11-16-18-6-2-9-23(16)21-15)20-14-5-1-4-13(10-14)12-22-8-3-7-19-22/h1-11H,12H2,(H,20,24)
InChIKeyXJBSUPMVELPQSX-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.23
Rot. Bonds4

About N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440185) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440185
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cc2ncccn2n1
InChIInChI=1S/C17H14N6O/c24-17(15-11-16-18-6-2-9-23(16)21-15)20-14-5-1-4-13(10-14)12-22-8-3-7-19-22/h1-11H,12H2,(H,20,24)
InChIKeyXJBSUPMVELPQSX-UHFFFAOYSA-N
XLogP2.23
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416844
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 167797293
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
N-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775057
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440185) is N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1cc2ncccn2n1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XJBSUPMVELPQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c24-17(15-11-16-18-6-2-9-23(16)21-15)20-14-5-1-4-13(10-14)12-22-8-3-7-19-22/h1-11H,12H2,(H,20,24).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).