1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole

C9H16N2O2S — CID 135209476

IUPAC1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
SMILESCCn1ncc(S(=O)(=O)C(C)C)c1C
InChIInChI=1S/C9H16N2O2S/c1-5-11-8(4)9(6-10-11)14(12,13)7(2)3/h6-7H,5H2,1-4H3
InChIKeyNYRBMTFVBWVQFR-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.39
Rot. Bonds3

About 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole

1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole (PubChem CID 135209476) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
PubChem CID135209476
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
SMILESCCn1ncc(S(=O)(=O)C(C)C)c1C
InChIInChI=1S/C9H16N2O2S/c1-5-11-8(4)9(6-10-11)14(12,13)7(2)3/h6-7H,5H2,1-4H3
InChIKeyNYRBMTFVBWVQFR-UHFFFAOYSA-N
XLogP1.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole?
The IUPAC name of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole (CID 135209476) is 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole.
What is the SMILES notation for 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole?
The canonical SMILES for 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole is CCn1ncc(S(=O)(=O)C(C)C)c1C.
What is the InChIKey of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole?
The InChIKey is NYRBMTFVBWVQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-5-11-8(4)9(6-10-11)14(12,13)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole?
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole has a molecular weight of 216.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole is sourced from PubChem (CID 135209476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).