3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine

C12H15N3OS — CID 117376795

IUPAC3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(SC)cccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3OS/c1-15-11(13)7-9(14-15)8-5-4-6-10(17-3)12(8)16-2/h4-7H,13H2,1-3H3
InChIKeyOTTXRNGAZWQMQX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.40
Rot. Bonds3

About 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine

3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117376795) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID117376795
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(SC)cccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3OS/c1-15-11(13)7-9(14-15)8-5-4-6-10(17-3)12(8)16-2/h4-7H,13H2,1-3H3
InChIKeyOTTXRNGAZWQMQX-UHFFFAOYSA-N
XLogP2.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333
3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451526
3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine
CID 117399598
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
CID 115111899
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 117376795) is 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine is COc1c(SC)cccc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is OTTXRNGAZWQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15-11(13)7-9(14-15)8-5-4-6-10(17-3)12(8)16-2/h4-7H,13H2,1-3H3.
What are the key properties of 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117376795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).