3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole

C9H14N2O2S — CID 118464147

IUPAC3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole
SMILESCCc1cc(S(=O)(=O)C2CC2)nn1C
InChIInChI=1S/C9H14N2O2S/c1-3-7-6-9(10-11(7)2)14(12,13)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyWKNQWBYKRQVJFM-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.92
Rot. Bonds3

About 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole

3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole (PubChem CID 118464147) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole
PubChem CID118464147
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole
SMILESCCc1cc(S(=O)(=O)C2CC2)nn1C
InChIInChI=1S/C9H14N2O2S/c1-3-7-6-9(10-11(7)2)14(12,13)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyWKNQWBYKRQVJFM-UHFFFAOYSA-N
XLogP0.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole?
The IUPAC name of 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole (CID 118464147) is 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole?
The canonical SMILES for 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole is CCc1cc(S(=O)(=O)C2CC2)nn1C.
What is the InChIKey of 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole?
The InChIKey is WKNQWBYKRQVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7-6-9(10-11(7)2)14(12,13)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole?
3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole has a molecular weight of 214.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylsulfonyl-5-ethyl-1-methylpyrazole is sourced from PubChem (CID 118464147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).