1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine

C12H15N3S — CID 117338986

IUPAC1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
SMILESCSc1cc(C)ccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3S/c1-8-4-5-9(11(6-8)16-3)10-7-12(13)15(2)14-10/h4-7H,13H2,1-3H3
InChIKeyJWKONYOXDMSZJM-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds2

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

1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine (PubChem CID 117338986) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
PubChem CID117338986
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
SMILESCSc1cc(C)ccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3S/c1-8-4-5-9(11(6-8)16-3)10-7-12(13)15(2)14-10/h4-7H,13H2,1-3H3
InChIKeyJWKONYOXDMSZJM-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine (CID 117338986) is 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine is CSc1cc(C)ccc1-c1cc(N)n(C)n1.
What is the InChIKey of 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine?
The InChIKey is JWKONYOXDMSZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-4-5-9(11(6-8)16-3)10-7-12(13)15(2)14-10/h4-7H,13H2,1-3H3.
What are the key properties of 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine?
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine is sourced from PubChem (CID 117338986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).