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

C7H13N3O3S — CID 104710044

IUPACN-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C7H13N3O3S/c1-6(5-11)9-14(12,13)7-3-4-8-10(7)2/h3-4,6,9,11H,5H2,1-2H3
InChIKeyVDPWOFIRFDZRDX-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.92
Rot. Bonds4

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

N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104710044) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
PubChem CID104710044
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C7H13N3O3S/c1-6(5-11)9-14(12,13)7-3-4-8-10(7)2/h3-4,6,9,11H,5H2,1-2H3
InChIKeyVDPWOFIRFDZRDX-UHFFFAOYSA-N
XLogP-0.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
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-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide (CID 104710044) is N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide is CC(CO)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is VDPWOFIRFDZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6(5-11)9-14(12,13)7-3-4-8-10(7)2/h3-4,6,9,11H,5H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide?
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).