(1-methylpyrazol-3-yl)methanesulfonyl fluoride

C5H7FN2O2S — CID 155937575

IUPAC(1-methylpyrazol-3-yl)methanesulfonyl fluoride
SMILESCn1ccc(CS(=O)(=O)F)n1
InChIInChI=1S/C5H7FN2O2S/c1-8-3-2-5(7-8)4-11(6,9)10/h2-3H,4H2,1H3
InChIKeySIYIPPJXDJKUKV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.22
Rot. Bonds2

About (1-methylpyrazol-3-yl)methanesulfonyl fluoride

(1-methylpyrazol-3-yl)methanesulfonyl fluoride (PubChem CID 155937575) has the molecular formula C5H7FN2O2S and a molecular weight of 178.19 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methanesulfonyl fluoride
PubChem CID155937575
Molecular FormulaC5H7FN2O2S
Molecular Weight178.19 g/mol
Exact Mass178.02
IUPAC Name(1-methylpyrazol-3-yl)methanesulfonyl fluoride
SMILESCn1ccc(CS(=O)(=O)F)n1
InChIInChI=1S/C5H7FN2O2S/c1-8-3-2-5(7-8)4-11(6,9)10/h2-3H,4H2,1H3
InChIKeySIYIPPJXDJKUKV-UHFFFAOYSA-N
XLogP0.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-methylpyrazol-3-yl)methanesulfonyl fluoride (CID 155937575) is (1-methylpyrazol-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-methylpyrazol-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-methylpyrazol-3-yl)methanesulfonyl fluoride is Cn1ccc(CS(=O)(=O)F)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)methanesulfonyl fluoride?
The InChIKey is SIYIPPJXDJKUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O2S/c1-8-3-2-5(7-8)4-11(6,9)10/h2-3H,4H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)methanesulfonyl fluoride?
(1-methylpyrazol-3-yl)methanesulfonyl fluoride has a molecular weight of 178.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 155937575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).