3-ethyl-1-methylpyrazole-4-sulfonyl fluoride

C6H9FN2O2S — CID 165459013

IUPAC3-ethyl-1-methylpyrazole-4-sulfonyl fluoride
SMILESCCc1nn(C)cc1S(=O)(=O)F
InChIInChI=1S/C6H9FN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3
InChIKeyGZXGOMYSZUXTKI-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.64
Rot. Bonds2

About 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride

3-ethyl-1-methylpyrazole-4-sulfonyl fluoride (PubChem CID 165459013) has the molecular formula C6H9FN2O2S and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole-4-sulfonyl fluoride
PubChem CID165459013
Molecular FormulaC6H9FN2O2S
Molecular Weight192.21 g/mol
Exact Mass192.04
IUPAC Name3-ethyl-1-methylpyrazole-4-sulfonyl fluoride
SMILESCCc1nn(C)cc1S(=O)(=O)F
InChIInChI=1S/C6H9FN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3
InChIKeyGZXGOMYSZUXTKI-UHFFFAOYSA-N
XLogP0.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride 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-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 4635707
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
4H,5H,6H-Pyrrolo[1,2-B]pyrazole-3-sulfonyl chloride
CID 55279479
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 66020430
3-cyclopropyl-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 117764486

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride?
The IUPAC name of 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride (CID 165459013) is 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride?
The canonical SMILES for 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride is CCc1nn(C)cc1S(=O)(=O)F.
What is the InChIKey of 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride?
The InChIKey is GZXGOMYSZUXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride?
3-ethyl-1-methylpyrazole-4-sulfonyl fluoride has a molecular weight of 192.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 165459013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).