4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine

C12H16N4S — CID 64771834

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)n1ccc(CSc2ccncc2N)n1
InChIInChI=1S/C12H16N4S/c1-9(2)16-6-4-10(15-16)8-17-12-3-5-14-7-11(12)13/h3-7,9H,8,13H2,1-2H3
InChIKeyCUQVKAPQEBIIOX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.73
Rot. Bonds4

About 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine

4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 64771834) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
PubChem CID64771834
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)n1ccc(CSc2ccncc2N)n1
InChIInChI=1S/C12H16N4S/c1-9(2)16-6-4-10(15-16)8-17-12-3-5-14-7-11(12)13/h3-7,9H,8,13H2,1-2H3
InChIKeyCUQVKAPQEBIIOX-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64784161
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 66142138
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219953
3-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 79133399
3,5-difluoro-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 64772644
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
2-[(1-methylpyrazol-3-yl)methylsulfanyl]aniline
CID 82865720
7-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 43299556

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine (CID 64771834) is 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine is CC(C)n1ccc(CSc2ccncc2N)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is CUQVKAPQEBIIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(2)16-6-4-10(15-16)8-17-12-3-5-14-7-11(12)13/h3-7,9H,8,13H2,1-2H3.
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 248.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 64771834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).