3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide

C18H15F2N3O — CID 56968227

IUPAC3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccccc2)c(C(F)F)n1
InChIInChI=1S/C18H15F2N3O/c1-23-11-14(16(22-23)17(19)20)18(24)21-15-10-6-5-9-13(15)12-7-3-2-4-8-12/h2-11,17H,1H3,(H,21,24)
InChIKeyBSTYXEYQRPCOOC-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.28
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide (PubChem CID 56968227) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide
PubChem CID56968227
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccccc2)c(C(F)F)n1
InChIInChI=1S/C18H15F2N3O/c1-23-11-14(16(22-23)17(19)20)18(24)21-15-10-6-5-9-13(15)12-7-3-2-4-8-12/h2-11,17H,1H3,(H,21,24)
InChIKeyBSTYXEYQRPCOOC-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide (CID 56968227) is 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2ccccc2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide?
The InChIKey is BSTYXEYQRPCOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-23-11-14(16(22-23)17(19)20)18(24)21-15-10-6-5-9-13(15)12-7-3-2-4-8-12/h2-11,17H,1H3,(H,21,24).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(2-phenylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56968227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).