1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole

C9H15N3O2S — CID 6470787

IUPAC1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCCn1cc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C9H15N3O2S/c1-2-11-8-9(7-10-11)15(13,14)12-5-3-4-6-12/h7-8H,2-6H2,1H3
InChIKeySZMRAHPLWMQIQR-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.69
Rot. Bonds3

About 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole

1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole (PubChem CID 6470787) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole
PubChem CID6470787
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCCn1cc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C9H15N3O2S/c1-2-11-8-9(7-10-11)15(13,14)12-5-3-4-6-12/h7-8H,2-6H2,1H3
InChIKeySZMRAHPLWMQIQR-UHFFFAOYSA-N
XLogP0.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The IUPAC name of 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole (CID 6470787) is 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole.
What is the SMILES notation for 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The canonical SMILES for 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole is CCn1cc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The InChIKey is SZMRAHPLWMQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-11-8-9(7-10-11)15(13,14)12-5-3-4-6-12/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole has a molecular weight of 229.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyrrolidin-1-ylsulfonylpyrazole is sourced from PubChem (CID 6470787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).