4-(4-amino-3-methylpyrazol-1-yl)benzenethiol

C10H11N3S — CID 143874116

IUPAC4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
SMILESCc1nn(-c2ccc(S)cc2)cc1N
InChIInChI=1S/C10H11N3S/c1-7-10(11)6-13(12-7)8-2-4-9(14)5-3-8/h2-6,14H,11H2,1H3
InChIKeySOHFPTHYZVFTKT-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.05
Rot. Bonds1

About 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol

4-(4-amino-3-methylpyrazol-1-yl)benzenethiol (PubChem CID 143874116) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol.

Molecular Properties

Compound Name4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
PubChem CID143874116
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
SMILESCc1nn(-c2ccc(S)cc2)cc1N
InChIInChI=1S/C10H11N3S/c1-7-10(11)6-13(12-7)8-2-4-9(14)5-3-8/h2-6,14H,11H2,1H3
InChIKeySOHFPTHYZVFTKT-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylpyrazol-1-yl)benzenethiol
CID 143152522
3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine
CID 84617695
1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
CID 84617686
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
CID 84617710
2-(4-amino-3-methylpyrazol-1-yl)-5-methylphenol
CID 84617650
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
CID 83203377
1-(4-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758581
1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216565
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222604

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol?
The IUPAC name of 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol (CID 143874116) is 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol.
What is the SMILES notation for 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol?
The canonical SMILES for 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol is Cc1nn(-c2ccc(S)cc2)cc1N.
What is the InChIKey of 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol?
The InChIKey is SOHFPTHYZVFTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-10(11)6-13(12-7)8-2-4-9(14)5-3-8/h2-6,14H,11H2,1H3.
What are the key properties of 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol?
4-(4-amino-3-methylpyrazol-1-yl)benzenethiol has a molecular weight of 205.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylpyrazol-1-yl)benzenethiol is sourced from PubChem (CID 143874116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).