5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one

C9H11N3OS — CID 82879641

IUPAC5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCCCc1cc(=O)n(-c2nccs2)[nH]1
InChIInChI=1S/C9H11N3OS/c1-2-3-7-6-8(13)12(11-7)9-10-4-5-14-9/h4-6,11H,2-3H2,1H3
InChIKeyDIAWUIWQCZVYFD-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.57
Rot. Bonds3

About 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one

5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one (PubChem CID 82879641) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
PubChem CID82879641
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCCCc1cc(=O)n(-c2nccs2)[nH]1
InChIInChI=1S/C9H11N3OS/c1-2-3-7-6-8(13)12(11-7)9-10-4-5-14-9/h4-6,11H,2-3H2,1H3
InChIKeyDIAWUIWQCZVYFD-UHFFFAOYSA-N
XLogP1.57
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one
CID 81042193
5-tert-butyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 82879988
5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione
CID 82881200
2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile
CID 86725477
2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one
CID 79823094
5-pentyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 18780322
2-tert-butyl-5-propyl-1H-pyrazol-3-one
CID 66020651
2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
CID 82880731
5-propyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220778
2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 82879507
4-methyl-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 175371107
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one (CID 82879641) is 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one is CCCc1cc(=O)n(-c2nccs2)[nH]1.
What is the InChIKey of 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The InChIKey is DIAWUIWQCZVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-3-7-6-8(13)12(11-7)9-10-4-5-14-9/h4-6,11H,2-3H2,1H3.
What are the key properties of 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one?
5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 82879641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).