1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole

C10H14N4O2S — CID 22771671

IUPAC1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole
SMILESCCn1cc(S(=O)(=O)n2cc(C)cn2)c(C)n1
InChIInChI=1S/C10H14N4O2S/c1-4-13-7-10(9(3)12-13)17(15,16)14-6-8(2)5-11-14/h5-7H,4H2,1-3H3
InChIKeyJOAGZOPJOXKAHD-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.95
Rot. Bonds3

About 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole

1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole (PubChem CID 22771671) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole
PubChem CID22771671
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole
SMILESCCn1cc(S(=O)(=O)n2cc(C)cn2)c(C)n1
InChIInChI=1S/C10H14N4O2S/c1-4-13-7-10(9(3)12-13)17(15,16)14-6-8(2)5-11-14/h5-7H,4H2,1-3H3
InChIKeyJOAGZOPJOXKAHD-UHFFFAOYSA-N
XLogP0.95
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole?
The IUPAC name of 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole (CID 22771671) is 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole?
The canonical SMILES for 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole is CCn1cc(S(=O)(=O)n2cc(C)cn2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole?
The InChIKey is JOAGZOPJOXKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-4-13-7-10(9(3)12-13)17(15,16)14-6-8(2)5-11-14/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole?
1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole has a molecular weight of 254.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole is sourced from PubChem (CID 22771671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).