[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone

C13H14F2N2O2S — CID 4191427

IUPAC[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2N=C(C3CC3)CC2(O)C(F)F)cs1
InChIInChI=1S/C13H14F2N2O2S/c1-7-4-9(6-20-7)11(18)17-13(19,12(14)15)5-10(16-17)8-2-3-8/h4,6,8,12,19H,2-3,5H2,1H3
InChIKeyWWWCPCFJOKNQRT-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.62
Rot. Bonds3

About [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone

[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 4191427) has the molecular formula C13H14F2N2O2S and a molecular weight of 300.33 g/mol. Its IUPAC name is [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID4191427
Molecular FormulaC13H14F2N2O2S
Molecular Weight300.33 g/mol
Exact Mass300.07
IUPAC Name[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2N=C(C3CC3)CC2(O)C(F)F)cs1
InChIInChI=1S/C13H14F2N2O2S/c1-7-4-9(6-20-7)11(18)17-13(19,12(14)15)5-10(16-17)8-2-3-8/h4,6,8,12,19H,2-3,5H2,1H3
InChIKeyWWWCPCFJOKNQRT-UHFFFAOYSA-N
XLogP2.62
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone 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 [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone (CID 4191427) is [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2N=C(C3CC3)CC2(O)C(F)F)cs1.
What is the InChIKey of [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is WWWCPCFJOKNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S/c1-7-4-9(6-20-7)11(18)17-13(19,12(14)15)5-10(16-17)8-2-3-8/h4,6,8,12,19H,2-3,5H2,1H3.
What are the key properties of [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 300.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 4191427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).