1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole

C11H12F2N2S — CID 174694141

IUPAC1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole
SMILESCCCCn1nccc1-c1sc(F)cc1F
InChIInChI=1S/C11H12F2N2S/c1-2-3-6-15-9(4-5-14-15)11-8(12)7-10(13)16-11/h4-5,7H,2-3,6H2,1H3
InChIKeyTZFLMXZOJQLTHY-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.69
Rot. Bonds4

About 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole

1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole (PubChem CID 174694141) has the molecular formula C11H12F2N2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole
PubChem CID174694141
Molecular FormulaC11H12F2N2S
Molecular Weight242.29 g/mol
Exact Mass242.07
IUPAC Name1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole
SMILESCCCCn1nccc1-c1sc(F)cc1F
InChIInChI=1S/C11H12F2N2S/c1-2-3-6-15-9(4-5-14-15)11-8(12)7-10(13)16-11/h4-5,7H,2-3,6H2,1H3
InChIKeyTZFLMXZOJQLTHY-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole 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 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole?
The IUPAC name of 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole (CID 174694141) is 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole.
What is the SMILES notation for 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole?
The canonical SMILES for 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole is CCCCn1nccc1-c1sc(F)cc1F.
What is the InChIKey of 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole?
The InChIKey is TZFLMXZOJQLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2S/c1-2-3-6-15-9(4-5-14-15)11-8(12)7-10(13)16-11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole?
1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole has a molecular weight of 242.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(3,5-difluorothiophen-2-yl)pyrazole is sourced from PubChem (CID 174694141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).