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

C23H20ClN3O2 — CID 134087440

IUPAC5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)ccc1-c1ccccc1
InChIInChI=1S/C23H20ClN3O2/c1-29-22-15-19(11-12-20(22)16-5-3-2-4-6-16)25-23(28)27-14-13-21(26-27)17-7-9-18(24)10-8-17/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyOXVGATILWSOUBR-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.66
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134087440) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID134087440
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)ccc1-c1ccccc1
InChIInChI=1S/C23H20ClN3O2/c1-29-22-15-19(11-12-20(22)16-5-3-2-4-6-16)25-23(28)27-14-13-21(26-27)17-7-9-18(24)10-8-17/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyOXVGATILWSOUBR-UHFFFAOYSA-N
XLogP5.66
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134087479
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylsulfanylphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 45036589
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347481
2-(2-chloro-4,5-dimethoxyphenyl)-1-[5-[4-(methylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
CID 59355829
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7531928
N-(2,5-dimethoxyphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 31305972
N-(4-chlorophenyl)-7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
CID 45036584
[5-[4-(4-chlorophenyl)-2-sulfanylphenyl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 136613216
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methoxyphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 59768199

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 134087440) is 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide is COc1cc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)ccc1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OXVGATILWSOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-29-22-15-19(11-12-20(22)16-5-3-2-4-6-16)25-23(28)27-14-13-21(26-27)17-7-9-18(24)10-8-17/h2-12,15H,13-14H2,1H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 5.66, 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-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134087440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).