1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine

C11H13N3O2S — CID 83727845

IUPAC1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine
SMILESCn1ncc(N)c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H13N3O2S/c1-14-11(10(12)7-13-14)8-3-5-9(6-4-8)17(2,15)16/h3-7H,12H2,1-2H3
InChIKeyNGUOOSGTURAIOE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.07
Rot. Bonds2

About 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine

1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine (PubChem CID 83727845) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine
PubChem CID83727845
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine
SMILESCn1ncc(N)c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H13N3O2S/c1-14-11(10(12)7-13-14)8-3-5-9(6-4-8)17(2,15)16/h3-7H,12H2,1-2H3
InChIKeyNGUOOSGTURAIOE-UHFFFAOYSA-N
XLogP1.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine (CID 83727845) is 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine is Cn1ncc(N)c1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine?
The InChIKey is NGUOOSGTURAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14-11(10(12)7-13-14)8-3-5-9(6-4-8)17(2,15)16/h3-7H,12H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine?
1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine has a molecular weight of 251.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83727845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).