5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole

C9H15N3O2S — CID 102693338

IUPAC5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
SMILESCCC1CCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C9H15N3O2S/c1-2-8-4-6-12(7-8)15(13,14)9-3-5-10-11-9/h3,5,8H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyLMMZAVRFTXTYOU-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds3

About 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole

5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole (PubChem CID 102693338) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
PubChem CID102693338
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
SMILESCCC1CCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C9H15N3O2S/c1-2-8-4-6-12(7-8)15(13,14)9-3-5-10-11-9/h3,5,8H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyLMMZAVRFTXTYOU-UHFFFAOYSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
5-(1H-pyrazol-5-ylsulfonyl)-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 102690954
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
CID 102690328
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
4-methylsulfanyl-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 114238088
[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol
CID 102693223
2-(bromomethyl)-4-(1H-pyrazol-5-ylsulfonyl)morpholine
CID 102694002
3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
CID 102694117

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
The IUPAC name of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole (CID 102693338) is 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole is CCC1CCN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
The InChIKey is LMMZAVRFTXTYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-8-4-6-12(7-8)15(13,14)9-3-5-10-11-9/h3,5,8H,2,4,6-7H2,1H3,(H,10,11).
What are the key properties of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole has a molecular weight of 229.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole is sourced from PubChem (CID 102693338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).