N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide

C23H25N3O4S — CID 5075883

IUPACN-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4S/c1-13-6-14(2)8-16(7-13)26-22(17-11-31-12-18(17)25-26)24-23(27)15-9-19(28-3)21(30-5)20(10-15)29-4/h6-10H,11-12H2,1-5H3,(H,24,27)
InChIKeyRQIVBMGQADOEAW-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide

N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 5075883) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID5075883
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4S/c1-13-6-14(2)8-16(7-13)26-22(17-11-31-12-18(17)25-26)24-23(27)15-9-19(28-3)21(30-5)20(10-15)29-4/h6-10H,11-12H2,1-5H3,(H,24,27)
InChIKeyRQIVBMGQADOEAW-UHFFFAOYSA-N
XLogP4.51
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide (CID 5075883) is N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is RQIVBMGQADOEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-13-6-14(2)8-16(7-13)26-22(17-11-31-12-18(17)25-26)24-23(27)15-9-19(28-3)21(30-5)20(10-15)29-4/h6-10H,11-12H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide?
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 439.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 5075883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).