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

C14H11ClF2N6O — CID 19268631

IUPACN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccn(C(F)F)n1
InChIInChI=1S/C14H11ClF2N6O/c15-10-4-2-1-3-9(10)7-22-8-18-14(21-22)19-12(24)11-5-6-23(20-11)13(16)17/h1-6,8,13H,7H2,(H,19,21,24)
InChIKeyUZCUCQROEZDFFW-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.82
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268631) has the molecular formula C14H11ClF2N6O and a molecular weight of 352.73 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19268631
Molecular FormulaC14H11ClF2N6O
Molecular Weight352.73 g/mol
Exact Mass352.07
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccn(C(F)F)n1
InChIInChI=1S/C14H11ClF2N6O/c15-10-4-2-1-3-9(10)7-22-8-18-14(21-22)19-12(24)11-5-6-23(20-11)13(16)17/h1-6,8,13H,7H2,(H,19,21,24)
InChIKeyUZCUCQROEZDFFW-UHFFFAOYSA-N
XLogP2.82
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273536
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19275429
1-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19273839
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 4863029
4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 19474663
1-[(2-chlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19265271
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268594
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270311
1-[1-[[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506262
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262606

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 19268631) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccn(C(F)F)n1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is UZCUCQROEZDFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N6O/c15-10-4-2-1-3-9(10)7-22-8-18-14(21-22)19-12(24)11-5-6-23(20-11)13(16)17/h1-6,8,13H,7H2,(H,19,21,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 352.73 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).