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

C20H27N3OS — CID 5175415

IUPAC4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1
InChIInChI=1S/C20H27N3OS/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-17-15-11-25-12-16(15)22-23(17)20(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,24)
InChIKeyQDCSGKOWMYVLJS-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.93
Rot. Bonds2

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

4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (PubChem CID 5175415) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
PubChem CID5175415
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1
InChIInChI=1S/C20H27N3OS/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-17-15-11-25-12-16(15)22-23(17)20(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,24)
InChIKeyQDCSGKOWMYVLJS-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(2-tert-butyl-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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (CID 5175415) is 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The InChIKey is QDCSGKOWMYVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-17-15-11-25-12-16(15)22-23(17)20(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,24).
What are the key properties of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide has a molecular weight of 357.52 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 5175415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).