N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

C16H21N3OS — CID 46964418

IUPACN-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C16H21N3OS/c1-11(10-12-6-5-9-21-12)17-16(20)15-13-7-3-2-4-8-14(13)18-19-15/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyWZLZRPIDCYYNAN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.10
Rot. Bonds4

About N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 46964418) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID46964418
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C16H21N3OS/c1-11(10-12-6-5-9-21-12)17-16(20)15-13-7-3-2-4-8-14(13)18-19-15/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyWZLZRPIDCYYNAN-UHFFFAOYSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-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-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 46964418) is N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is CC(Cc1cccs1)NC(=O)c1n[nH]c2c1CCCCC2.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is WZLZRPIDCYYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(10-12-6-5-9-21-12)17-16(20)15-13-7-3-2-4-8-14(13)18-19-15/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).