2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide

C15H13Cl3N6O — CID 19520726

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H13Cl3N6O/c1-9-13(18)5-20-24(9)7-14(25)21-15-19-8-23(22-15)6-10-2-3-11(16)12(17)4-10/h2-5,8H,6-7H2,1H3,(H,21,22,25)
InChIKeyLZRLQGMNECGYMD-UHFFFAOYSA-N
MW399.67 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 19520726) has the molecular formula C15H13Cl3N6O and a molecular weight of 399.67 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID19520726
Molecular FormulaC15H13Cl3N6O
Molecular Weight399.67 g/mol
Exact Mass398.02
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H13Cl3N6O/c1-9-13(18)5-20-24(9)7-14(25)21-15-19-8-23(22-15)6-10-2-3-11(16)12(17)4-10/h2-5,8H,6-7H2,1H3,(H,21,22,25)
InChIKeyLZRLQGMNECGYMD-UHFFFAOYSA-N
XLogP3.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516658
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19524688
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19553985
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517832
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19517882
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279736
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520712
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022679
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440746
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522588
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19527180
4-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide (CID 19520726) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide is Cc1c(Cl)cnn1CC(=O)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is LZRLQGMNECGYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N6O/c1-9-13(18)5-20-24(9)7-14(25)21-15-19-8-23(22-15)6-10-2-3-11(16)12(17)4-10/h2-5,8H,6-7H2,1H3,(H,21,22,25).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 399.67 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 19520726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).