N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C18H13ClF3N3O — CID 11610589

IUPACN-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2F)c(C(F)F)n1
InChIInChI=1S/C18H13ClF3N3O/c1-25-9-13(16(24-25)17(21)22)18(26)23-15-5-3-2-4-12(15)11-7-6-10(19)8-14(11)20/h2-9,17H,1H3,(H,23,26)
InChIKeyAWOALXKJDJGUMA-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.07
Rot. Bonds4

About N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 11610589) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID11610589
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC NameN-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2F)c(C(F)F)n1
InChIInChI=1S/C18H13ClF3N3O/c1-25-9-13(16(24-25)17(21)22)18(26)23-15-5-3-2-4-12(15)11-7-6-10(19)8-14(11)20/h2-9,17H,1H3,(H,23,26)
InChIKeyAWOALXKJDJGUMA-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 11610589) is N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2F)c(C(F)F)n1.
What is the InChIKey of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is AWOALXKJDJGUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c1-25-9-13(16(24-25)17(21)22)18(26)23-15-5-3-2-4-12(15)11-7-6-10(19)8-14(11)20/h2-9,17H,1H3,(H,23,26).
What are the key properties of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 11610589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).