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

C28H19ClFN3O2 — CID 57111578

IUPAC3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)cc1)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C28H19ClFN3O2/c29-21-11-9-20(10-12-21)27-26(19-5-2-1-3-6-19)18-33(32-27)28(34)31-23-13-15-24(16-14-23)35-25-8-4-7-22(30)17-25/h1-18H,(H,31,34)
InChIKeyDNORIVDXEVERJR-UHFFFAOYSA-N
MW483.93 g/mol
LogP7.88
Rot. Bonds5

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

3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide (PubChem CID 57111578) has the molecular formula C28H19ClFN3O2 and a molecular weight of 483.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
PubChem CID57111578
Molecular FormulaC28H19ClFN3O2
Molecular Weight483.93 g/mol
Exact Mass483.11
IUPAC Name3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)cc1)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C28H19ClFN3O2/c29-21-11-9-20(10-12-21)27-26(19-5-2-1-3-6-19)18-33(32-27)28(34)31-23-13-15-24(16-14-23)35-25-8-4-7-22(30)17-25/h1-18H,(H,31,34)
InChIKeyDNORIVDXEVERJR-UHFFFAOYSA-N
XLogP7.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.93
LogP ≤ 57.88
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-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
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-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-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 57205191
3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
CID 56982754
4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56990733

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide (CID 57111578) is 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)cc1)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide?
The InChIKey is DNORIVDXEVERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFN3O2/c29-21-11-9-20(10-12-21)27-26(19-5-2-1-3-6-19)18-33(32-27)28(34)31-23-13-15-24(16-14-23)35-25-8-4-7-22(30)17-25/h1-18H,(H,31,34).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide?
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide has a molecular weight of 483.93 g/mol, XLogP of 7.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 57111578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).