3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide

C29H19ClF3N3O2 — CID 57078314

IUPAC3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C29H19ClF3N3O2/c30-22-10-6-20(7-11-22)27-26(19-4-2-1-3-5-19)18-36(35-27)28(37)34-23-12-16-25(17-13-23)38-24-14-8-21(9-15-24)29(31,32)33/h1-18H,(H,34,37)
InChIKeyFNVSUVPWWHQQFS-UHFFFAOYSA-N
MW533.94 g/mol
LogP8.76
Rot. Bonds5

About 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide

3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide (PubChem CID 57078314) has the molecular formula C29H19ClF3N3O2 and a molecular weight of 533.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
PubChem CID57078314
Molecular FormulaC29H19ClF3N3O2
Molecular Weight533.94 g/mol
Exact Mass533.11
IUPAC Name3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C29H19ClF3N3O2/c30-22-10-6-20(7-11-22)27-26(19-4-2-1-3-5-19)18-36(35-27)28(37)34-23-12-16-25(17-13-23)38-24-14-8-21(9-15-24)29(31,32)33/h1-18H,(H,34,37)
InChIKeyFNVSUVPWWHQQFS-UHFFFAOYSA-N
XLogP8.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.94
LogP ≤ 58.76
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)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
3-(4-chlorophenyl)-N-[4-(4-nitrophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57012967
3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
3-(4-chlorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57227443
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
3-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57065633
3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57015409
3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
CID 56982754
3-(4-chlorophenyl)-N-(2,2-dimethyl-7-propan-2-yl-1,3-benzodioxol-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57190334
N-[4-(4-tert-butylphenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-1,3-dihydropyrazole-2-carboxamide
CID 70408088

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide (CID 57078314) is 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide?
The InChIKey is FNVSUVPWWHQQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClF3N3O2/c30-22-10-6-20(7-11-22)27-26(19-4-2-1-3-5-19)18-36(35-27)28(37)34-23-12-16-25(17-13-23)38-24-14-8-21(9-15-24)29(31,32)33/h1-18H,(H,34,37).
What are the key properties of 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide?
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide has a molecular weight of 533.94 g/mol, XLogP of 8.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 57078314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).