3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine

C13H17N3OS — CID 117413350

IUPAC3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)ccc(SC)c1-c1cc(N)n(C)n1
InChIInChI=1S/C13H17N3OS/c1-8-5-6-10(18-4)12(13(8)17-3)9-7-11(14)16(2)15-9/h5-7H,14H2,1-4H3
InChIKeyGXSVRFQMSCDTHB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.71
Rot. Bonds3

About 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine

3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117413350) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID117413350
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)ccc(SC)c1-c1cc(N)n(C)n1
InChIInChI=1S/C13H17N3OS/c1-8-5-6-10(18-4)12(13(8)17-3)9-7-11(14)16(2)15-9/h5-7H,14H2,1-4H3
InChIKeyGXSVRFQMSCDTHB-UHFFFAOYSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376795
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877
3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine
CID 117496199
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 117413350) is 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine is COc1c(C)ccc(SC)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GXSVRFQMSCDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-5-6-10(18-4)12(13(8)17-3)9-7-11(14)16(2)15-9/h5-7H,14H2,1-4H3.
What are the key properties of 3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 2.71, 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-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117413350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).