3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine

C12H15N3O — CID 90480970

IUPAC3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
SMILESCc1cc(C)cc(Oc2nn(C)cc2N)c1
InChIInChI=1S/C12H15N3O/c1-8-4-9(2)6-10(5-8)16-12-11(13)7-15(3)14-12/h4-7H,13H2,1-3H3
InChIKeyRYZQOQLKTMSYAI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds2

About 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine

3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine (PubChem CID 90480970) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
PubChem CID90480970
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
SMILESCc1cc(C)cc(Oc2nn(C)cc2N)c1
InChIInChI=1S/C12H15N3O/c1-8-4-9(2)6-10(5-8)16-12-11(13)7-15(3)14-12/h4-7H,13H2,1-3H3
InChIKeyRYZQOQLKTMSYAI-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine (CID 90480970) is 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine is Cc1cc(C)cc(Oc2nn(C)cc2N)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine?
The InChIKey is RYZQOQLKTMSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-9(2)6-10(5-8)16-12-11(13)7-15(3)14-12/h4-7H,13H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine?
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 90480970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).