N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide

C10H19N3O3S — CID 104773051

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H19N3O3S/c1-8(2)9(5-7-14)12-17(15,16)10-4-6-11-13(10)3/h4,6,8-9,12,14H,5,7H2,1-3H3
InChIKeyOSMGGZZGPFICOW-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.11
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104773051) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
PubChem CID104773051
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H19N3O3S/c1-8(2)9(5-7-14)12-17(15,16)10-4-6-11-13(10)3/h4,6,8-9,12,14H,5,7H2,1-3H3
InChIKeyOSMGGZZGPFICOW-UHFFFAOYSA-N
XLogP0.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N-[(3R)-1-hydroxy-4-methylpentan-3-yl]-4-methylbenzenesulfonamide
CID 97070553
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
tert-butyl (2R)-3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 104710385

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide (CID 104773051) is N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide is CC(C)C(CCO)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is OSMGGZZGPFICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(2)9(5-7-14)12-17(15,16)10-4-6-11-13(10)3/h4,6,8-9,12,14H,5,7H2,1-3H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104773051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).