3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol

C10H11N3S — CID 97179619

IUPAC3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
SMILESCc1nn(-c2ccccn2)c(C)c1S
InChIInChI=1S/C10H11N3S/c1-7-10(14)8(2)13(12-7)9-5-3-4-6-11-9/h3-6,14H,1-2H3
InChIKeyJPCKPYZXECWZLE-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.17
Rot. Bonds1

About 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol

3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol (PubChem CID 97179619) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol.

Molecular Properties

Compound Name3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
PubChem CID97179619
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
SMILESCc1nn(-c2ccccn2)c(C)c1S
InChIInChI=1S/C10H11N3S/c1-7-10(14)8(2)13(12-7)9-5-3-4-6-11-9/h3-6,14H,1-2H3
InChIKeyJPCKPYZXECWZLE-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-methyl-1-pyridin-2-ylpyrazol-4-ol
CID 90747187
(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
CID 102202777
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 141206427
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
2-(5-methyl-1,2,4-triazol-1-yl)pyridine
CID 154284403
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
(3aS,6aR)-5-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846063
3-methyl-1-pyridin-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135848098
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol?
The IUPAC name of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol (CID 97179619) is 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol.
What is the SMILES notation for 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol?
The canonical SMILES for 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol is Cc1nn(-c2ccccn2)c(C)c1S.
What is the InChIKey of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol?
The InChIKey is JPCKPYZXECWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-10(14)8(2)13(12-7)9-5-3-4-6-11-9/h3-6,14H,1-2H3.
What are the key properties of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol?
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol has a molecular weight of 205.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol is sourced from PubChem (CID 97179619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).