4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide

C15H13Cl2FN6O — CID 19477357

IUPAC4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ncn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H13Cl2FN6O/c1-2-24-13(11(17)6-20-24)14(25)21-15-19-8-23(22-15)7-9-10(16)4-3-5-12(9)18/h3-6,8H,2,7H2,1H3,(H,21,22,25)
InChIKeyPTGSOHIDHWXCGA-UHFFFAOYSA-N
MW383.21 g/mol
LogP3.24
Rot. Bonds5

About 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide

4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19477357) has the molecular formula C15H13Cl2FN6O and a molecular weight of 383.21 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
PubChem CID19477357
Molecular FormulaC15H13Cl2FN6O
Molecular Weight383.21 g/mol
Exact Mass382.05
IUPAC Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ncn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H13Cl2FN6O/c1-2-24-13(11(17)6-20-24)14(25)21-15-19-8-23(22-15)7-9-10(16)4-3-5-12(9)18/h3-6,8H,2,7H2,1H3,(H,21,22,25)
InChIKeyPTGSOHIDHWXCGA-UHFFFAOYSA-N
XLogP3.24
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-ethyl-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-5-carboxamide
CID 19477348
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
CID 19410315
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472204
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262606
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022737
4-bromo-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262870
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552166
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266587
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526223
4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475845
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide (CID 19477357) is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1ncn(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is PTGSOHIDHWXCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN6O/c1-2-24-13(11(17)6-20-24)14(25)21-15-19-8-23(22-15)7-9-10(16)4-3-5-12(9)18/h3-6,8H,2,7H2,1H3,(H,21,22,25).
What are the key properties of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide?
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 383.21 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).