3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide

C17H21N3O3S — CID 134713578

IUPAC3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2c3c(nn2C)CSC3)cc1OCC
InChIInChI=1S/C17H21N3O3S/c1-4-22-14-7-6-11(8-15(14)23-5-2)17(21)18-16-12-9-24-10-13(12)19-20(16)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyQYLVACGMEIZAEC-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.22
Rot. Bonds6

About 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide

3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (PubChem CID 134713578) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
PubChem CID134713578
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2c3c(nn2C)CSC3)cc1OCC
InChIInChI=1S/C17H21N3O3S/c1-4-22-14-7-6-11(8-15(14)23-5-2)17(21)18-16-12-9-24-10-13(12)19-20(16)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyQYLVACGMEIZAEC-UHFFFAOYSA-N
XLogP3.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)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

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide
CID 3399728
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 3632782
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 4138818
4-ethoxy-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30859113
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-diethoxybenzamide
CID 3464036
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
3,4-dimethyl-N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862163
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
CID 53370102

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (CID 134713578) is 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2c3c(nn2C)CSC3)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The InChIKey is QYLVACGMEIZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-22-14-7-6-11(8-15(14)23-5-2)17(21)18-16-12-9-24-10-13(12)19-20(16)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21).
What are the key properties of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 134713578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).