3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide

C28H19F2N3O2 — CID 57265619

IUPAC3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)n1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H19F2N3O2/c29-21-10-6-19(7-11-21)26-18-33(32-27(26)20-8-12-22(30)13-9-20)28(34)31-23-14-16-25(17-15-23)35-24-4-2-1-3-5-24/h1-18H,(H,31,34)
InChIKeyLCKAOWLVOSEMFE-UHFFFAOYSA-N
MW467.48 g/mol
LogP7.37
Rot. Bonds5

About 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide

3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide (PubChem CID 57265619) has the molecular formula C28H19F2N3O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
PubChem CID57265619
Molecular FormulaC28H19F2N3O2
Molecular Weight467.48 g/mol
Exact Mass467.14
IUPAC Name3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)n1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H19F2N3O2/c29-21-10-6-19(7-11-21)26-18-33(32-27(26)20-8-12-22(30)13-9-20)28(34)31-23-14-16-25(17-15-23)35-24-4-2-1-3-5-24/h1-18H,(H,31,34)
InChIKeyLCKAOWLVOSEMFE-UHFFFAOYSA-N
XLogP7.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
CID 57078314
3-(4-chlorophenyl)-N-[4-(4-nitrophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57012967
3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57015409
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-bis(4-fluorophenyl)pyrazole-1-carboxamide
CID 57316781
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
bis(3,4-diphenylpyrazol-1-yl)methanone
CID 58850875
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide (CID 57265619) is 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)n1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is LCKAOWLVOSEMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F2N3O2/c29-21-10-6-19(7-11-21)26-18-33(32-27(26)20-8-12-22(30)13-9-20)28(34)31-23-14-16-25(17-15-23)35-24-4-2-1-3-5-24/h1-18H,(H,31,34).
What are the key properties of 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 57265619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).