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

C18H23N3OS — CID 4159767

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)CSC2
InChIInChI=1S/C18H23N3OS/c1-18(2,3)21-17(14-11-23-12-15(14)20-21)19-16(22)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,22)
InChIKeyVODFXMVJXIEHHW-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.96
Rot. Bonds4

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide (PubChem CID 4159767) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide
PubChem CID4159767
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)CSC2
InChIInChI=1S/C18H23N3OS/c1-18(2,3)21-17(14-11-23-12-15(14)20-21)19-16(22)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,22)
InChIKeyVODFXMVJXIEHHW-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide 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-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide (CID 4159767) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide is CC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide?
The InChIKey is VODFXMVJXIEHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-18(2,3)21-17(14-11-23-12-15(14)20-21)19-16(22)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 4159767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).