5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide

C27H22ClN3O2S — CID 24762755

IUPAC5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C27H22ClN3O2S/c1-33-25-14-11-19(28)16-22(25)27(32)29-20-12-9-18(10-13-20)23-17-24(26-8-5-15-34-26)31(30-23)21-6-3-2-4-7-21/h2-16,24H,17H2,1H3,(H,29,32)
InChIKeySVSOGSPSRZJUEB-UHFFFAOYSA-N
MW488.01 g/mol
LogP7.02
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide

5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide (PubChem CID 24762755) has the molecular formula C27H22ClN3O2S and a molecular weight of 488.01 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide
PubChem CID24762755
Molecular FormulaC27H22ClN3O2S
Molecular Weight488.01 g/mol
Exact Mass487.11
IUPAC Name5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C27H22ClN3O2S/c1-33-25-14-11-19(28)16-22(25)27(32)29-20-12-9-18(10-13-20)23-17-24(26-8-5-15-34-26)31(30-23)21-6-3-2-4-7-21/h2-16,24H,17H2,1H3,(H,29,32)
InChIKeySVSOGSPSRZJUEB-UHFFFAOYSA-N
XLogP7.02
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide 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-chloro-N-[4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methoxybenzamide
CID 23635658
5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 174592956
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 42956565
5-(4-methoxyphenyl)-N-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 10905291
N-[4-[(3S)-2-(6-chloro-4-phenylquinazolin-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97354022
(3R)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7242051
4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797690
4-(4-chlorophenyl)-2-[(3R)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797692
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide (CID 24762755) is 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide?
The InChIKey is SVSOGSPSRZJUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O2S/c1-33-25-14-11-19(28)16-22(25)27(32)29-20-12-9-18(10-13-20)23-17-24(26-8-5-15-34-26)31(30-23)21-6-3-2-4-7-21/h2-16,24H,17H2,1H3,(H,29,32).
What are the key properties of 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide has a molecular weight of 488.01 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 24762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).