4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine

C12H15N3OS — CID 117376784

IUPAC4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(SC)cccc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3OS/c1-15-12(13)9(7-14-15)8-5-4-6-10(17-3)11(8)16-2/h4-7H,13H2,1-3H3
InChIKeyCTTYHMFDIYHMHY-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine

4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117376784) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID117376784
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(SC)cccc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3OS/c1-15-12(13)9(7-14-15)8-5-4-6-10(17-3)11(8)16-2/h4-7H,13H2,1-3H3
InChIKeyCTTYHMFDIYHMHY-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 117376784) is 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine is COc1c(SC)cccc1-c1cnn(C)c1N.
What is the InChIKey of 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is CTTYHMFDIYHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15-12(13)9(7-14-15)8-5-4-6-10(17-3)11(8)16-2/h4-7H,13H2,1-3H3.
What are the key properties of 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
4-(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 4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117376784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).