1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine

C9H11N5O2S — CID 69399884

IUPAC1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
SMILESCn1ncc(-c2ccnc(S(C)(=O)=O)n2)c1N
InChIInChI=1S/C9H11N5O2S/c1-14-8(10)6(5-12-14)7-3-4-11-9(13-7)17(2,15)16/h3-5H,10H2,1-2H3
InChIKeyINLPQDCXSHINPP-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.14
Rot. Bonds2

About 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine

1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine (PubChem CID 69399884) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
PubChem CID69399884
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
SMILESCn1ncc(-c2ccnc(S(C)(=O)=O)n2)c1N
InChIInChI=1S/C9H11N5O2S/c1-14-8(10)6(5-12-14)7-3-4-11-9(13-7)17(2,15)16/h3-5H,10H2,1-2H3
InChIKeyINLPQDCXSHINPP-UHFFFAOYSA-N
XLogP-0.14
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine (CID 69399884) is 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine is Cn1ncc(-c2ccnc(S(C)(=O)=O)n2)c1N.
What is the InChIKey of 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
The InChIKey is INLPQDCXSHINPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-14-8(10)6(5-12-14)7-3-4-11-9(13-7)17(2,15)16/h3-5H,10H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine has a molecular weight of 253.29 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine is sourced from PubChem (CID 69399884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).