[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine

C12H15N3O2S — CID 79485117

IUPAC[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N3O2S/c1-15-8-10(7-13)12(14-15)9-3-5-11(6-4-9)18(2,16)17/h3-6,8H,7,13H2,1-2H3
InChIKeyJBOUFZJYOJZMTD-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.95
Rot. Bonds3

About [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine

[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine (PubChem CID 79485117) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
PubChem CID79485117
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N3O2S/c1-15-8-10(7-13)12(14-15)9-3-5-11(6-4-9)18(2,16)17/h3-6,8H,7,13H2,1-2H3
InChIKeyJBOUFZJYOJZMTD-UHFFFAOYSA-N
XLogP0.95
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid
CID 43324444
1-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 19355257
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113
3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine
CID 83204801
[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine
CID 79485434
1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 83217262
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
1-ethyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde
CID 61264154
[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239749
3-ethynyl-1-methyl-4-(4-methylsulfonylphenyl)pyrazole
CID 166449786
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-4-yl]methanamine
CID 79485670
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine (CID 79485117) is [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine is Cn1cc(CN)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is JBOUFZJYOJZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-8-10(7-13)12(14-15)9-3-5-11(6-4-9)18(2,16)17/h3-6,8H,7,13H2,1-2H3.
What are the key properties of [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine?
[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 79485117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).