N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide

C9H17N3O3S — CID 104773039

IUPACN-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H17N3O3S/c1-3-8(5-7-13)11-16(14,15)9-4-6-10-12(9)2/h4,6,8,11,13H,3,5,7H2,1-2H3
InChIKeyKLBORYVRCNGADC-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.14
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide

N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104773039) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
PubChem CID104773039
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H17N3O3S/c1-3-8(5-7-13)11-16(14,15)9-4-6-10-12(9)2/h4,6,8,11,13H,3,5,7H2,1-2H3
InChIKeyKLBORYVRCNGADC-UHFFFAOYSA-N
XLogP-0.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
(2S)-5-ethoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039415

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide (CID 104773039) is N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide is CCC(CCO)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is KLBORYVRCNGADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-3-8(5-7-13)11-16(14,15)9-4-6-10-12(9)2/h4,6,8,11,13H,3,5,7H2,1-2H3.
What are the key properties of N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide?
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104773039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).