4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide

C7H13N3O3S — CID 146571378

IUPAC4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1cc(CO)c(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-5(2)10-3-6(4-11)7(9-10)14(8,12)13/h3,5,11H,4H2,1-2H3,(H2,8,12,13)
InChIKeyPFIQYUNGIJYHFH-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.40
Rot. Bonds3

About 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide

4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 146571378) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide
PubChem CID146571378
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1cc(CO)c(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-5(2)10-3-6(4-11)7(9-10)14(8,12)13/h3,5,11H,4H2,1-2H3,(H2,8,12,13)
InChIKeyPFIQYUNGIJYHFH-UHFFFAOYSA-N
XLogP-0.40
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-1-propan-2-ylpyrazole-3-sulfonamide;1-propan-2-ylpyrazole-3-sulfonamide
CID 165090896
1-methyl-4-propan-2-ylpyrazole-3-sulfonamide
CID 134247755
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
1-propan-2-yltriazole-4-sulfonic acid;hydrochloride
CID 174875536
(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 136583372
2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
CID 81336433
6-oxo-1-propan-2-ylpyridine-3-sulfonamide
CID 137402572
4-chloro-1-propan-2-ylpyrazole-3-carboxylic acid
CID 19619889
4-amino-1-methylpyrazole-3-sulfonamide
CID 122673402
(2-propan-2-ylindazol-5-yl)methanol
CID 90356269
4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
CID 134512205
ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 144607430

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide (CID 146571378) is 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide is CC(C)n1cc(CO)c(S(N)(=O)=O)n1.
What is the InChIKey of 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is PFIQYUNGIJYHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-5(2)10-3-6(4-11)7(9-10)14(8,12)13/h3,5,11H,4H2,1-2H3,(H2,8,12,13).
What are the key properties of 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide?
4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 146571378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).