N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine

C12H16N4O2S — CID 64629336

IUPACN-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
SMILESCC(CS(C)(=O)=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C12H16N4O2S/c1-10(9-19(2,17)18)15-11-5-3-6-13-12(11)16-8-4-7-14-16/h3-8,10,15H,9H2,1-2H3
InChIKeyOAVNALDHNKWETN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.11
Rot. Bonds5

About N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine

N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 64629336) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
PubChem CID64629336
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
SMILESCC(CS(C)(=O)=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C12H16N4O2S/c1-10(9-19(2,17)18)15-11-5-3-6-13-12(11)16-8-4-7-14-16/h3-8,10,15H,9H2,1-2H3
InChIKeyOAVNALDHNKWETN-UHFFFAOYSA-N
XLogP1.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
CID 43736970
N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
CID 64629725
N-(2-pyrazol-1-yl-3-pyridinyl)propane-1-sulfonamide
CID 64584149
2-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43736964
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922139
N-[1-(5-bromothiophen-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
CID 61000206
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
CID 104652628
N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
N-(1-methylsulfonylpropan-2-yl)-2-(triazol-1-yl)aniline
CID 64630327
4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80910646
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine (CID 64629336) is N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine is CC(CS(C)(=O)=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is OAVNALDHNKWETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10(9-19(2,17)18)15-11-5-3-6-13-12(11)16-8-4-7-14-16/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 280.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 64629336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).