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

C18H14ClF2N3O — CID 11394350

IUPACN-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(C(F)F)n1
InChIInChI=1S/C18H14ClF2N3O/c1-24-10-14(16(23-24)17(20)21)18(25)22-15-5-3-2-4-13(15)11-6-8-12(19)9-7-11/h2-10,17H,1H3,(H,22,25)
InChIKeyFHJSOSUERYQSIZ-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.93
Rot. Bonds4

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

N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 11394350) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID11394350
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC NameN-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(C(F)F)n1
InChIInChI=1S/C18H14ClF2N3O/c1-24-10-14(16(23-24)17(20)21)18(25)22-15-5-3-2-4-13(15)11-6-8-12(19)9-7-11/h2-10,17H,1H3,(H,22,25)
InChIKeyFHJSOSUERYQSIZ-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 11394350) is N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(C(F)F)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FHJSOSUERYQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c1-24-10-14(16(23-24)17(20)21)18(25)22-15-5-3-2-4-13(15)11-6-8-12(19)9-7-11/h2-10,17H,1H3,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 361.78 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 11394350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).