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

C22H18FN3O — CID 138968142

IUPAC5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C22H18FN3O/c23-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)26(25-20)22(27)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,27)
InChIKeyRQKVSGFCVFGOPB-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.21
Rot. Bonds3

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

5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 138968142) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID138968142
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C22H18FN3O/c23-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)26(25-20)22(27)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,27)
InChIKeyRQKVSGFCVFGOPB-UHFFFAOYSA-N
XLogP5.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
3-(4-bromophenyl)-5-(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 3876755
N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134150541
3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxylic acid naphthalen-1-ylamide
CID 24863532
3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 49865618
N,3-Bis(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazole-1-carboxamide
CID 173664
1H-Pyrazole-1-carboxamide, 4,5-dihydro-N,3,4-tris(4-chlorophenyl)-
CID 3042082
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-4-phenyl-N-(4-(trifluoromethyl)phenyl)-
CID 3042085
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
CID 5407232
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019
3,5-bis(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10833431
N-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 10915666

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide (CID 138968142) is 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RQKVSGFCVFGOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)26(25-20)22(27)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,27).
What are the key properties of 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 138968142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).