2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

C21H19ClN2O2S — CID 139218051

IUPAC2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(OC)c(C2CC(c3cccs3)=NN2c2cccc(Cl)c2)c1
InChIInChI=1S/C21H19ClN2O2S/c1-25-16-8-9-20(26-2)17(12-16)19-13-18(21-7-4-10-27-21)23-24(19)15-6-3-5-14(22)11-15/h3-12,19H,13H2,1-2H3
InChIKeySXZSGJZWZUKFLC-UHFFFAOYSA-N
MW398.92 g/mol
LogP5.77
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 139218051) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID139218051
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(OC)c(C2CC(c3cccs3)=NN2c2cccc(Cl)c2)c1
InChIInChI=1S/C21H19ClN2O2S/c1-25-16-8-9-20(26-2)17(12-16)19-13-18(21-7-4-10-27-21)23-24(19)15-6-3-5-14(22)11-15/h3-12,19H,13H2,1-2H3
InChIKeySXZSGJZWZUKFLC-UHFFFAOYSA-N
XLogP5.77
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole 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

CID 2818668
CID 2818668
CID 581709
CID 581709
CID 2842530
CID 2842530
CID 3122786
CID 3122786
CID 139218052
CID 139218052
CID 2853979
CID 2853979
CID 145865542
CID 145865542
CID 178251610
CID 178251610
CID 5092288
CID 5092288
CID 7074511
CID 7074511
CID 7074512
CID 7074512
CID 7079813
CID 7079813

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 139218051) is 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccc(OC)c(C2CC(c3cccs3)=NN2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is SXZSGJZWZUKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-25-16-8-9-20(26-2)17(12-16)19-13-18(21-7-4-10-27-21)23-24(19)15-6-3-5-14(22)11-15/h3-12,19H,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 398.92 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 139218051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).