N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide

C14H19N3OS — CID 35440479

IUPACN-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
SMILESCC(C)Cn1nccc1NC(=O)CCc1ccsc1
InChIInChI=1S/C14H19N3OS/c1-11(2)9-17-13(5-7-15-17)16-14(18)4-3-12-6-8-19-10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyIWEOILSRRFYLOQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide

N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide (PubChem CID 35440479) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
PubChem CID35440479
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
SMILESCC(C)Cn1nccc1NC(=O)CCc1ccsc1
InChIInChI=1S/C14H19N3OS/c1-11(2)9-17-13(5-7-15-17)16-14(18)4-3-12-6-8-19-10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyIWEOILSRRFYLOQ-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide 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-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide (CID 35440479) is N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide is CC(C)Cn1nccc1NC(=O)CCc1ccsc1.
What is the InChIKey of N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is IWEOILSRRFYLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11(2)9-17-13(5-7-15-17)16-14(18)4-3-12-6-8-19-10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 35440479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).