3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide

C23H25N3O5S — CID 41293272

IUPAC3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1
InChIInChI=1S/C23H25N3O5S/c1-23(11-12-32(28,29)15-23)24-22(27)19-14-26(16-7-5-4-6-8-16)25-21(19)18-13-17(30-2)9-10-20(18)31-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyAOQQFYCYKFQKKQ-HSZRJFAPSA-N
MW455.54 g/mol
LogP2.86
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide

3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 41293272) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID41293272
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1
InChIInChI=1S/C23H25N3O5S/c1-23(11-12-32(28,29)15-23)24-22(27)19-14-26(16-7-5-4-6-8-16)25-21(19)18-13-17(30-2)9-10-20(18)31-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyAOQQFYCYKFQKKQ-HSZRJFAPSA-N
XLogP2.86
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-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

[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 16531046
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 119032239
N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 27649329
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55611029
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
CID 56559378
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
3-(2,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55657345
3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 86906413
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide (CID 41293272) is 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is AOQQFYCYKFQKKQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-23(11-12-32(28,29)15-23)24-22(27)19-14-26(16-7-5-4-6-8-16)25-21(19)18-13-17(30-2)9-10-20(18)31-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,27)/t23-/m1/s1.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 41293272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).