N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H14ClN7O — CID 44824679

IUPACN-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(Cn2cc(Cl)c(NC(=O)c3nc4ncccn4n3)n2)c1
InChIInChI=1S/C17H14ClN7O/c1-11-4-2-5-12(8-11)9-24-10-13(18)14(22-24)20-16(26)15-21-17-19-6-3-7-25(17)23-15/h2-8,10H,9H2,1H3,(H,20,22,26)
InChIKeyZVELRWROGQSXNT-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.58
Rot. Bonds4

About N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824679) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824679
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC NameN-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(Cn2cc(Cl)c(NC(=O)c3nc4ncccn4n3)n2)c1
InChIInChI=1S/C17H14ClN7O/c1-11-4-2-5-12(8-11)9-24-10-13(18)14(22-24)20-16(26)15-21-17-19-6-3-7-25(17)23-15/h2-8,10H,9H2,1H3,(H,20,22,26)
InChIKeyZVELRWROGQSXNT-UHFFFAOYSA-N
XLogP2.58
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824594
4-[[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496420
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19398768
2-[4-[[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504809
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19405320
N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
CID 19400769
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315682
N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487473
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264643
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19402779

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824679) is N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(Cn2cc(Cl)c(NC(=O)c3nc4ncccn4n3)n2)c1.
What is the InChIKey of N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZVELRWROGQSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-11-4-2-5-12(8-11)9-24-10-13(18)14(22-24)20-16(26)15-21-17-19-6-3-7-25(17)23-15/h2-8,10H,9H2,1H3,(H,20,22,26).
What are the key properties of N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).