5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C28H23FN4O — CID 14256918

IUPAC5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Nc3ccccc3)cc2)=N1
InChIInChI=1S/C28H23FN4O/c29-22-13-17-25(18-14-22)31-28(34)33-19-26(20-7-3-1-4-8-20)27(32-33)21-11-15-24(16-12-21)30-23-9-5-2-6-10-23/h1-18,26,30H,19H2,(H,31,34)
InChIKeyMJSBXPHHEAWFST-UHFFFAOYSA-N
MW450.52 g/mol
LogP6.60
Rot. Bonds5

About 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14256918) has the molecular formula C28H23FN4O and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID14256918
Molecular FormulaC28H23FN4O
Molecular Weight450.52 g/mol
Exact Mass450.19
IUPAC Name5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Nc3ccccc3)cc2)=N1
InChIInChI=1S/C28H23FN4O/c29-22-13-17-25(18-14-22)31-28(34)33-19-26(20-7-3-1-4-8-20)27(32-33)21-11-15-24(16-12-21)30-23-9-5-2-6-10-23/h1-18,26,30H,19H2,(H,31,34)
InChIKeyMJSBXPHHEAWFST-UHFFFAOYSA-N
XLogP6.60
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenyl)sulfanylphenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277336
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 134116944
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14277424
5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14277338
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13275000
4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide
CID 50902307
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518

Frequently Asked Questions

What is the IUPAC name of 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 14256918) is 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Nc3ccccc3)cc2)=N1.
What is the InChIKey of 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is MJSBXPHHEAWFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O/c29-22-13-17-25(18-14-22)31-28(34)33-19-26(20-7-3-1-4-8-20)27(32-33)21-11-15-24(16-12-21)30-23-9-5-2-6-10-23/h1-18,26,30H,19H2,(H,31,34).
What are the key properties of 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 6.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14256918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).