2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C14H23N3OS — CID 2998318

IUPAC2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(SC1CCCC1)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H23N3OS/c1-10(2)17-13(8-9-15-17)16-14(18)11(3)19-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,16,18)
InChIKeyMPXSLKPVFFNYAL-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.47
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 2998318) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID2998318
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(SC1CCCC1)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H23N3OS/c1-10(2)17-13(8-9-15-17)16-14(18)11(3)19-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,16,18)
InChIKeyMPXSLKPVFFNYAL-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-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-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 2998318) is 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(SC1CCCC1)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is MPXSLKPVFFNYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)17-13(8-9-15-17)16-14(18)11(3)19-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 281.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 2998318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).