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

C28H19ClFN3O2 — CID 57211760

IUPACN-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)n1cc(-c2ccccc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H19ClFN3O2/c29-21-8-14-24(15-9-21)35-25-16-12-23(13-17-25)31-28(34)33-18-26(19-4-2-1-3-5-19)27(32-33)20-6-10-22(30)11-7-20/h1-18H,(H,31,34)
InChIKeyALNUYVVAZQPBKK-UHFFFAOYSA-N
MW483.93 g/mol
LogP7.88
Rot. Bonds5

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

N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide (PubChem CID 57211760) has the molecular formula C28H19ClFN3O2 and a molecular weight of 483.93 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
PubChem CID57211760
Molecular FormulaC28H19ClFN3O2
Molecular Weight483.93 g/mol
Exact Mass483.11
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)n1cc(-c2ccccc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H19ClFN3O2/c29-21-8-14-24(15-9-21)35-25-16-12-23(13-17-25)31-28(34)33-18-26(19-4-2-1-3-5-19)27(32-33)20-6-10-22(30)11-7-20/h1-18H,(H,31,34)
InChIKeyALNUYVVAZQPBKK-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

3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
CID 57078314
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
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-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 57205191
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide (CID 57211760) is N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)n1cc(-c2ccccc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide?
The InChIKey is ALNUYVVAZQPBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFN3O2/c29-21-8-14-24(15-9-21)35-25-16-12-23(13-17-25)31-28(34)33-18-26(19-4-2-1-3-5-19)27(32-33)20-6-10-22(30)11-7-20/h1-18H,(H,31,34).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-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 N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 57211760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).