N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C18H15F2N3O — CID 26245099

IUPACN-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N3O/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)18(24)21-13-8-9-15(19)16(20)10-13/h3-10H,1-2H3,(H,21,24)
InChIKeyXYMRCVQXPRUIAT-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.02
Rot. Bonds3

About N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 26245099) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID26245099
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N3O/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)18(24)21-13-8-9-15(19)16(20)10-13/h3-10H,1-2H3,(H,21,24)
InChIKeyXYMRCVQXPRUIAT-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 24516156
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
5-chloro-N-(4-fluoro-3-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 94866770
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
(E)-3-(3,4-difluorophenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 52753952
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 26245099) is N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XYMRCVQXPRUIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)18(24)21-13-8-9-15(19)16(20)10-13/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 26245099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).