5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

C22H18ClN3O2 — CID 134087479

IUPAC5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H18ClN3O2/c23-17-11-9-16(10-12-17)21-13-14-26(25-21)22(27)24-18-5-4-8-20(15-18)28-19-6-2-1-3-7-19/h1-12,15H,13-14H2,(H,24,27)
InChIKeyJKIFAGMKIPULSQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.77
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134087479) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID134087479
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H18ClN3O2/c23-17-11-9-16(10-12-17)21-13-14-26(25-21)22(27)24-18-5-4-8-20(15-18)28-19-6-2-1-3-7-19/h1-12,15H,13-14H2,(H,24,27)
InChIKeyJKIFAGMKIPULSQ-UHFFFAOYSA-N
XLogP5.77
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-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

5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134087440
3,5-bis(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134111213
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 12972096
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
N-[4-(3-chlorophenoxy)phenyl]-4,5-bis(4-chlorophenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70408814
N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885356

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 134087479) is 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JKIFAGMKIPULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-17-11-9-16(10-12-17)21-13-14-26(25-21)22(27)24-18-5-4-8-20(15-18)28-19-6-2-1-3-7-19/h1-12,15H,13-14H2,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134087479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).