5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride

C10H17ClN2O2S — CID 175604971

IUPAC5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCSC(C)C(C)n1ncc(C(=O)O)c1C.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-6(8(3)15-4)12-7(2)9(5-11-12)10(13)14;/h5-6,8H,1-4H3,(H,13,14);1H
InChIKeyZPOICYWIHPIPAG-UHFFFAOYSA-N
MW264.78 g/mol
LogP2.62
Rot. Bonds4

About 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride

5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride (PubChem CID 175604971) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride
PubChem CID175604971
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCSC(C)C(C)n1ncc(C(=O)O)c1C.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-6(8(3)15-4)12-7(2)9(5-11-12)10(13)14;/h5-6,8H,1-4H3,(H,13,14);1H
InChIKeyZPOICYWIHPIPAG-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
CID 175566202
N-(cyclopropylmethyl)-5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 171782342
5-methyl-1-(3-methylsulfanylbutan-2-yl)-N-prop-2-enyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 171782345
5-methyl-1-(1-methylsulfanylpropan-2-yl)pyrazole-4-carbothioic S-acid
CID 171782327
5-nitro-1-propan-2-ylpyrazole-4-carboxylic acid
CID 146680478
5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219065
2-chloro-4-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515648
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117218029
1-(3,3-dimethylbutan-2-yl)-5-iodopyrazole-4-carboxylic acid
CID 130986188
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
3-fluoro-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529696
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride (CID 175604971) is 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride is CSC(C)C(C)n1ncc(C(=O)O)c1C.Cl.
What is the InChIKey of 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is ZPOICYWIHPIPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S.ClH/c1-6(8(3)15-4)12-7(2)9(5-11-12)10(13)14;/h5-6,8H,1-4H3,(H,13,14);1H.
What are the key properties of 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride?
5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 175604971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).