1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol

C6H7F3N2OS — CID 116799456

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCSC(F)(F)F)c1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)13-2-1-11-4-5(12)3-10-11/h3-4,12H,1-2H2
InChIKeyPGVQKMMSNKJNQX-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol

1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol (PubChem CID 116799456) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol
PubChem CID116799456
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCSC(F)(F)F)c1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)13-2-1-11-4-5(12)3-10-11/h3-4,12H,1-2H2
InChIKeyPGVQKMMSNKJNQX-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol 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

1-(3-fluoropropyl)pyrazol-4-ol
CID 116799422
1-(2-phenylsulfanylethyl)pyrazol-4-ol
CID 116799458
1-(3-ethylsulfanylpropyl)pyrazol-4-ol
CID 116799350
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
1-(aminomethyl)pyrazol-4-ol
CID 117125261
1-(4-methylpentyl)pyrazol-4-ol
CID 116799439
1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
CID 131218916
1-(2-piperazin-1-ylethyl)pyrazol-4-ol
CID 82399492
[2-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 116618007
1-but-2-ynylpyrazol-4-ol
CID 122240485
1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117124791
1-(2-phenylsulfanylethyl)-4-(trifluoromethyl)pyrazole
CID 79349118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol (CID 116799456) is 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol is Oc1cnn(CCSC(F)(F)F)c1.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol?
The InChIKey is PGVQKMMSNKJNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)13-2-1-11-4-5(12)3-10-11/h3-4,12H,1-2H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol?
1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol has a molecular weight of 212.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol is sourced from PubChem (CID 116799456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).