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

C19H16F3N3O — CID 68910253

IUPAC3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccccc2CF)c(C(F)F)n1
InChIInChI=1S/C19H16F3N3O/c1-25-11-15(17(24-25)18(21)22)19(26)23-16-9-5-4-8-14(16)13-7-3-2-6-12(13)10-20/h2-9,11,18H,10H2,1H3,(H,23,26)
InChIKeyGYENZBQJOFOCBC-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.75
Rot. Bonds5

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

3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 68910253) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID68910253
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccccc2CF)c(C(F)F)n1
InChIInChI=1S/C19H16F3N3O/c1-25-11-15(17(24-25)18(21)22)19(26)23-16-9-5-4-8-14(16)13-7-3-2-6-12(13)10-20/h2-9,11,18H,10H2,1H3,(H,23,26)
InChIKeyGYENZBQJOFOCBC-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
3-(difluoromethyl)-5-fluoro-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 160595003
3-(difluoromethyl)-1-methyl-N-[2-(4,4,4-trifluoro-3-methylbutyl)phenyl]pyrazole-4-carboxamide
CID 57497963
3-(difluoromethyl)-1-methyl-N-[2-[3-(trifluoromethylsulfanyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 143664100
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816
N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 141486754
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
3-iodo-1-methyl-N-[2-[2-(3-methylbutyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 11271413
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11493659

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide (CID 68910253) is 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2ccccc2CF)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GYENZBQJOFOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-25-11-15(17(24-25)18(21)22)19(26)23-16-9-5-4-8-14(16)13-7-3-2-6-12(13)10-20/h2-9,11,18H,10H2,1H3,(H,23,26).
What are the key properties of 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 68910253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).