2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C16H22N4O2S — CID 71991697

IUPAC2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCN(Cc1cccs1)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)15(22)18-12-8-17-20(9-12)11-14(21)19(4)10-13-6-5-7-23-13/h5-9H,10-11H2,1-4H3,(H,18,22)
InChIKeyJDIMMLUQIRCRJW-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.59
Rot. Bonds5

About 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 71991697) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID71991697
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCN(Cc1cccs1)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)15(22)18-12-8-17-20(9-12)11-14(21)19(4)10-13-6-5-7-23-13/h5-9H,10-11H2,1-4H3,(H,18,22)
InChIKeyJDIMMLUQIRCRJW-UHFFFAOYSA-N
XLogP2.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide 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 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 71991697) is 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is CN(Cc1cccs1)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is JDIMMLUQIRCRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,3)15(22)18-12-8-17-20(9-12)11-14(21)19(4)10-13-6-5-7-23-13/h5-9H,10-11H2,1-4H3,(H,18,22).
What are the key properties of 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 334.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 71991697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).