2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol

C13H23N3O3S — CID 104692790

IUPAC2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol
SMILESCCC1CCCCCN1S(=O)(=O)c1cnn(CCO)c1
InChIInChI=1S/C13H23N3O3S/c1-2-12-6-4-3-5-7-16(12)20(18,19)13-10-14-15(11-13)8-9-17/h10-12,17H,2-9H2,1H3
InChIKeyZPKQHTAXGXLOTF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol

2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol (PubChem CID 104692790) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol
PubChem CID104692790
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol
SMILESCCC1CCCCCN1S(=O)(=O)c1cnn(CCO)c1
InChIInChI=1S/C13H23N3O3S/c1-2-12-6-4-3-5-7-16(12)20(18,19)13-10-14-15(11-13)8-9-17/h10-12,17H,2-9H2,1H3
InChIKeyZPKQHTAXGXLOTF-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(chloromethyl)-1-methylpyrrol-3-yl]sulfonyl-2-ethylazepane
CID 104692828
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 136549115
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
[5-(2-ethylpiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329304
2-(tert-butylsulfanylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 119105820
(2S)-2-(tert-butylsulfanylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 129357310
3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558542
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
(4aR,8aR)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 75389859
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814
1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644497
[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol (CID 104692790) is 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol is CCC1CCCCCN1S(=O)(=O)c1cnn(CCO)c1.
What is the InChIKey of 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol?
The InChIKey is ZPKQHTAXGXLOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-2-12-6-4-3-5-7-16(12)20(18,19)13-10-14-15(11-13)8-9-17/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol?
2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol has a molecular weight of 301.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol is sourced from PubChem (CID 104692790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).