2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine

C12H16N4S — CID 63819797

IUPAC2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(Sc2ccccn2)c1CCN
InChIInChI=1S/C12H16N4S/c1-9-10(6-7-13)12(16(2)15-9)17-11-5-3-4-8-14-11/h3-5,8H,6-7,13H2,1-2H3
InChIKeyUPQJQXLVJOXLBD-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.78
Rot. Bonds4

About 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine

2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine (PubChem CID 63819797) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine
PubChem CID63819797
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(Sc2ccccn2)c1CCN
InChIInChI=1S/C12H16N4S/c1-9-10(6-7-13)12(16(2)15-9)17-11-5-3-4-8-14-11/h3-5,8H,6-7,13H2,1-2H3
InChIKeyUPQJQXLVJOXLBD-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63804934
2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 102926248
2-[1,3-dimethyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazol-4-yl]ethanamine
CID 63820113
2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 114792481
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
CID 55262130
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
CID 63802598
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 105492843
(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methanamine
CID 63758578

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine (CID 63819797) is 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine is Cc1nn(C)c(Sc2ccccn2)c1CCN.
What is the InChIKey of 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine?
The InChIKey is UPQJQXLVJOXLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-10(6-7-13)12(16(2)15-9)17-11-5-3-4-8-14-11/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine?
2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine has a molecular weight of 248.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 63819797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).