4-(3,4-dimethylpyrazol-1-yl)benzenethiol

C11H12N2S — CID 143152522

IUPAC4-(3,4-dimethylpyrazol-1-yl)benzenethiol
SMILESCc1cn(-c2ccc(S)cc2)nc1C
InChIInChI=1S/C11H12N2S/c1-8-7-13(12-9(8)2)10-3-5-11(14)6-4-10/h3-7,14H,1-2H3
InChIKeyKFGNCAZQXNPTLS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.78
Rot. Bonds1

About 4-(3,4-dimethylpyrazol-1-yl)benzenethiol

4-(3,4-dimethylpyrazol-1-yl)benzenethiol (PubChem CID 143152522) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrazol-1-yl)benzenethiol.

Molecular Properties

Compound Name4-(3,4-dimethylpyrazol-1-yl)benzenethiol
PubChem CID143152522
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(3,4-dimethylpyrazol-1-yl)benzenethiol
SMILESCc1cn(-c2ccc(S)cc2)nc1C
InChIInChI=1S/C11H12N2S/c1-8-7-13(12-9(8)2)10-3-5-11(14)6-4-10/h3-7,14H,1-2H3
InChIKeyKFGNCAZQXNPTLS-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(3,4-dimethylpyrazol-1-yl)benzenethiol 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

4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
CID 143874116
3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 176921516
3-(3,4-dimethylpyrazol-1-yl)-5-fluoropyridine
CID 123217736
1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
CID 170911525
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 132586087
1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole
CID 176921856
1-[4-[4-(bromomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84617721
3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline
CID 154882278
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
CID 683196

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)benzenethiol?
The IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)benzenethiol (CID 143152522) is 4-(3,4-dimethylpyrazol-1-yl)benzenethiol.
What is the SMILES notation for 4-(3,4-dimethylpyrazol-1-yl)benzenethiol?
The canonical SMILES for 4-(3,4-dimethylpyrazol-1-yl)benzenethiol is Cc1cn(-c2ccc(S)cc2)nc1C.
What is the InChIKey of 4-(3,4-dimethylpyrazol-1-yl)benzenethiol?
The InChIKey is KFGNCAZQXNPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-7-13(12-9(8)2)10-3-5-11(14)6-4-10/h3-7,14H,1-2H3.
What are the key properties of 4-(3,4-dimethylpyrazol-1-yl)benzenethiol?
4-(3,4-dimethylpyrazol-1-yl)benzenethiol has a molecular weight of 204.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrazol-1-yl)benzenethiol is sourced from PubChem (CID 143152522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).