5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol

C10H12N4S — CID 39096562

IUPAC5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol
SMILESCc1ccc(-n2nc(C)c(S)c2N)nc1
InChIInChI=1S/C10H12N4S/c1-6-3-4-8(12-5-6)14-10(11)9(15)7(2)13-14/h3-5,15H,11H2,1-2H3
InChIKeyTYRMKCPPUNRPDL-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.76
Rot. Bonds1

About 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol

5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol (PubChem CID 39096562) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol.

Molecular Properties

Compound Name5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol
PubChem CID39096562
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol
SMILESCc1ccc(-n2nc(C)c(S)c2N)nc1
InChIInChI=1S/C10H12N4S/c1-6-3-4-8(12-5-6)14-10(11)9(15)7(2)13-14/h3-5,15H,11H2,1-2H3
InChIKeyTYRMKCPPUNRPDL-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-methyl-1-(6-methylpyrimidin-4-yl)pyrazole-4-thiol
CID 39096567
1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658803
3,5-diethyl-1-(5-methyl-2-pyridinyl)pyrazol-4-amine
CID 82702145
5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
1-(5-methyl-2-pyridinyl)indazol-6-amine
CID 61175078
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
CID 97179619
[1-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62949604
4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine
CID 79816701
1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carbothioamide
CID 62949824
1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 141138657
5-chloro-2-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 66233907

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol?
The IUPAC name of 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol (CID 39096562) is 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol.
What is the SMILES notation for 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol?
The canonical SMILES for 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol is Cc1ccc(-n2nc(C)c(S)c2N)nc1.
What is the InChIKey of 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol?
The InChIKey is TYRMKCPPUNRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-6-3-4-8(12-5-6)14-10(11)9(15)7(2)13-14/h3-5,15H,11H2,1-2H3.
What are the key properties of 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol?
5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol has a molecular weight of 220.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-(5-methyl-2-pyridinyl)pyrazole-4-thiol is sourced from PubChem (CID 39096562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).