1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine

C13H18N4O2S — CID 80521022

IUPAC1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(C(C)(C)S(C)(=O)=O)c(-c2ccccn2)c1N
InChIInChI=1S/C13H18N4O2S/c1-13(2,20(4,18)19)11-10(12(14)17(3)16-11)9-7-5-6-8-15-9/h5-8H,14H2,1-4H3
InChIKeyOXBLVENXUJHVMB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.34
Rot. Bonds3

About 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine

1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521022) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521022
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(C(C)(C)S(C)(=O)=O)c(-c2ccccn2)c1N
InChIInChI=1S/C13H18N4O2S/c1-13(2,20(4,18)19)11-10(12(14)17(3)16-11)9-7-5-6-8-15-9/h5-8H,14H2,1-4H3
InChIKeyOXBLVENXUJHVMB-UHFFFAOYSA-N
XLogP1.34
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521961
3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521580
3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521277
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521039
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128
3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521046
1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521660
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
4-(3,4-dimethylphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62901484
3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 81460629

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine (CID 80521022) is 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine is Cn1nc(C(C)(C)S(C)(=O)=O)c(-c2ccccn2)c1N.
What is the InChIKey of 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is OXBLVENXUJHVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,20(4,18)19)11-10(12(14)17(3)16-11)9-7-5-6-8-15-9/h5-8H,14H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine?
1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 294.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfonylpropan-2-yl)-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).