1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride

C5H9ClN2O3S — CID 174974386

IUPAC1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride
SMILESCc1c(S(=O)(=O)O)cnn1C.Cl
InChIInChI=1S/C5H8N2O3S.ClH/c1-4-5(11(8,9)10)3-6-7(4)2;/h3H,1-2H3,(H,8,9,10);1H
InChIKeyQMUGGJWSLYLXKD-UHFFFAOYSA-N
MW212.66 g/mol
LogP0.40
Rot. Bonds1

About 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride

1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride (PubChem CID 174974386) has the molecular formula C5H9ClN2O3S and a molecular weight of 212.66 g/mol. Its IUPAC name is 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride
PubChem CID174974386
Molecular FormulaC5H9ClN2O3S
Molecular Weight212.66 g/mol
Exact Mass212.00
IUPAC Name1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride
SMILESCc1c(S(=O)(=O)O)cnn1C.Cl
InChIInChI=1S/C5H8N2O3S.ClH/c1-4-5(11(8,9)10)3-6-7(4)2;/h3H,1-2H3,(H,8,9,10);1H
InChIKeyQMUGGJWSLYLXKD-UHFFFAOYSA-N
XLogP0.40
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethylpyrazole-4-sulfonamide
CID 13342781
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
N-(1,5-dimethylpyrazol-4-yl)-4-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]-1-methylpyrazole-5-carboxamide
CID 17022672
1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide
CID 19680850
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 131936491

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride?
The IUPAC name of 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride (CID 174974386) is 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride.
What is the SMILES notation for 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride?
The canonical SMILES for 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride is Cc1c(S(=O)(=O)O)cnn1C.Cl.
What is the InChIKey of 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride?
The InChIKey is QMUGGJWSLYLXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S.ClH/c1-4-5(11(8,9)10)3-6-7(4)2;/h3H,1-2H3,(H,8,9,10);1H.
What are the key properties of 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride?
1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride has a molecular weight of 212.66 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride is sourced from PubChem (CID 174974386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).