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

C17H14ClN7O — CID 171315682

IUPACN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3ncccn3n2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN7O/c1-11-9-14(25(22-11)10-12-5-2-3-6-13(12)18)20-16(26)15-21-17-19-7-4-8-24(17)23-15/h2-9H,10H2,1H3,(H,20,26)
InChIKeyTUKNZHXWVGMONB-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.58
Rot. Bonds4

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

N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 171315682) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID171315682
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC NameN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3ncccn3n2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN7O/c1-11-9-14(25(22-11)10-12-5-2-3-6-13(12)18)20-16(26)15-21-17-19-7-4-8-24(17)23-15/h2-9H,10H2,1H3,(H,20,26)
InChIKeyTUKNZHXWVGMONB-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-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 155909032
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
CID 155916587
N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824679
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824683
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169262
N-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42928937
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18096350
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824594
methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
CID 821880
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 5302832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 171315682) is N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2nc3ncccn3n2)n(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TUKNZHXWVGMONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-11-9-14(25(22-11)10-12-5-2-3-6-13(12)18)20-16(26)15-21-17-19-7-4-8-24(17)23-15/h2-9H,10H2,1H3,(H,20,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-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-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).