N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H12ClN7O — CID 19414628

IUPACN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cnn2cccnc12
InChIInChI=1S/C16H12ClN7O/c17-12-4-2-11(3-5-12)9-23-10-19-16(22-23)21-15(25)13-8-20-24-7-1-6-18-14(13)24/h1-8,10H,9H2,(H,21,22,25)
InChIKeyUGXPOBRBRGYUCK-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.27
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414628) has the molecular formula C16H12ClN7O and a molecular weight of 353.77 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414628
Molecular FormulaC16H12ClN7O
Molecular Weight353.77 g/mol
Exact Mass353.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cnn2cccnc12
InChIInChI=1S/C16H12ClN7O/c17-12-4-2-11(3-5-12)9-23-10-19-16(22-23)21-15(25)13-8-20-24-7-1-6-18-14(13)24/h1-8,10H,9H2,(H,21,22,25)
InChIKeyUGXPOBRBRGYUCK-UHFFFAOYSA-N
XLogP2.27
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416383
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440511
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664748
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide
CID 60606262
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440746
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416844

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414628) is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cnn2cccnc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UGXPOBRBRGYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7O/c17-12-4-2-11(3-5-12)9-23-10-19-16(22-23)21-15(25)13-8-20-24-7-1-6-18-14(13)24/h1-8,10H,9H2,(H,21,22,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).