N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide

C17H13F2N3O2 — CID 47028819

IUPACN-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-14-8-6-12(7-9-14)20-16(23)15-10-11-22(21-15)13-4-2-1-3-5-13/h1-11,17H,(H,20,23)
InChIKeyOYVIVFGDISIEIM-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.73
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 47028819) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID47028819
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-14-8-6-12(7-9-14)20-16(23)15-10-11-22(21-15)13-4-2-1-3-5-13/h1-11,17H,(H,20,23)
InChIKeyOYVIVFGDISIEIM-UHFFFAOYSA-N
XLogP3.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
2-[4-[[1-[4-(difluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71087967
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
CID 82723479
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 47068407
1-phenyl-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 60579971

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide (CID 47028819) is N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is OYVIVFGDISIEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-17(19)24-14-8-6-12(7-9-14)20-16(23)15-10-11-22(21-15)13-4-2-1-3-5-13/h1-11,17H,(H,20,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 47028819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).