N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C20H17N3O2S — CID 1079710

IUPACN-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C20H17N3O2S/c1-13-15-12-18(19(24)21-16-10-6-7-11-17(16)25-2)26-20(15)23(22-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)
InChIKeyBIZVSJCNEGIQFF-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.66
Rot. Bonds4

About N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1079710) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1079710
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C20H17N3O2S/c1-13-15-12-18(19(24)21-16-10-6-7-11-17(16)25-2)26-20(15)23(22-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)
InChIKeyBIZVSJCNEGIQFF-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide 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-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1079710) is N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BIZVSJCNEGIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-15-12-18(19(24)21-16-10-6-7-11-17(16)25-2)26-20(15)23(22-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1079710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).