1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide

C14H13ClN6O — CID 49376762

IUPAC1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C14H13ClN6O/c1-20-9-17-18-13(20)8-16-14(22)11-6-7-21(19-11)12-5-3-2-4-10(12)15/h2-7,9H,8H2,1H3,(H,16,22)
InChIKeyIDJZIFSGPLLDCV-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 49376762) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID49376762
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC Name1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C14H13ClN6O/c1-20-9-17-18-13(20)8-16-14(22)11-6-7-21(19-11)12-5-3-2-4-10(12)15/h2-7,9H,8H2,1H3,(H,16,22)
InChIKeyIDJZIFSGPLLDCV-UHFFFAOYSA-N
XLogP1.58
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(butanoylamino)phenyl]methyl]-1-(2-chlorophenyl)pyrazole-3-carboxamide
CID 49326504
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 49372359
1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 49488914
1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 49333169
1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 49487496
1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 49324924
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 49488043
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
6-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62237331
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide (CID 49376762) is 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide is Cn1cnnc1CNC(=O)c1ccn(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is IDJZIFSGPLLDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c1-20-9-17-18-13(20)8-16-14(22)11-6-7-21(19-11)12-5-3-2-4-10(12)15/h2-7,9H,8H2,1H3,(H,16,22).
What are the key properties of 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 49376762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).