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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Related Compounds

4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)-2-pyrimidinamine
CID 51034337
6-(3-Methyl-1H-pyrazol-1-yl)-3-pyridinemethanamine
CID 59588555
4-(1,3-dimethyl-1H-pyrazol-4-yl)-N-methylpyrimidin-2-amine
CID 46987126
4-{3-isopropyl-5-[(methylsulfonyl)methyl]-1H-1,2,4-triazol-1-yl}-3-methylpyridine
CID 50974992
N-{2-[3-isopropyl-1-(3-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}-N-methylmethanesulfonamide
CID 50984783
N~4~,N~4~-diethyl-6-(1-methyl-1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 121501642
(1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, 7-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 14155251
N-(2-fluoro-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155267
N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155279
N-(2,6-difluoro-3-methylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155293
N-(2-fluoro-6-methylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 20132854
2-Methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine
CID 21075608

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).