4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine

C12H16N4S — CID 62468749

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CSc2cc(C)nn2C)ccn1
InChIInChI=1S/C12H16N4S/c1-9-6-12(16(3)15-9)17-8-10-4-5-14-11(7-10)13-2/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyALYMYOOUDAMLIB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.46
Rot. Bonds4

About 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine

4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 62468749) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID62468749
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CSc2cc(C)nn2C)ccn1
InChIInChI=1S/C12H16N4S/c1-9-6-12(16(3)15-9)17-8-10-4-5-14-11(7-10)13-2/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyALYMYOOUDAMLIB-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine (CID 62468749) is 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine is CNc1cc(CSc2cc(C)nn2C)ccn1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is ALYMYOOUDAMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-6-12(16(3)15-9)17-8-10-4-5-14-11(7-10)13-2/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine?
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62468749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).