1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine

C14H19N3O2S — CID 104519653

IUPAC1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine
SMILESCc1ccccc1-c1c(C(C)S(C)(=O)=O)nn(C)c1N
InChIInChI=1S/C14H19N3O2S/c1-9-7-5-6-8-11(9)12-13(10(2)20(4,18)19)16-17(3)14(12)15/h5-8,10H,15H2,1-4H3
InChIKeyZBYVTTSISQDTKS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.08
Rot. Bonds3

About 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine

1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine (PubChem CID 104519653) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine
PubChem CID104519653
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine
SMILESCc1ccccc1-c1c(C(C)S(C)(=O)=O)nn(C)c1N
InChIInChI=1S/C14H19N3O2S/c1-9-7-5-6-8-11(9)12-13(10(2)20(4,18)19)16-17(3)14(12)15/h5-8,10H,15H2,1-4H3
InChIKeyZBYVTTSISQDTKS-UHFFFAOYSA-N
XLogP2.08
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(2-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 43336276
4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
CID 83544738
3-(4-iodophenyl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 43336269
1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921938
1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine
CID 43158510
1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
1-methyl-4-(2-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62905153
3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 79693790
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine
CID 83154819
4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62506943
ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
CID 54491280

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine (CID 104519653) is 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine is Cc1ccccc1-c1c(C(C)S(C)(=O)=O)nn(C)c1N.
What is the InChIKey of 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine?
The InChIKey is ZBYVTTSISQDTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-7-5-6-8-11(9)12-13(10(2)20(4,18)19)16-17(3)14(12)15/h5-8,10H,15H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine?
1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine has a molecular weight of 293.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylphenyl)-3-(1-methylsulfonylethyl)pyrazol-5-amine is sourced from PubChem (CID 104519653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).