2-(4-methoxyphenyl)-5-methylpyrazol-3-amine

C11H13N3O — CID 5155686

IUPAC2-(4-methoxyphenyl)-5-methylpyrazol-3-amine
SMILESCOc1ccc(-n2nc(C)cc2N)cc1
InChIInChI=1S/C11H13N3O/c1-8-7-11(12)14(13-8)9-3-5-10(15-2)6-4-9/h3-7H,12H2,1-2H3
InChIKeyYQSZHCXCUDINAM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.77
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine

2-(4-methoxyphenyl)-5-methylpyrazol-3-amine (PubChem CID 5155686) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methylpyrazol-3-amine
PubChem CID5155686
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(4-methoxyphenyl)-5-methylpyrazol-3-amine
SMILESCOc1ccc(-n2nc(C)cc2N)cc1
InChIInChI=1S/C11H13N3O/c1-8-7-11(12)14(13-8)9-3-5-10(15-2)6-4-9/h3-7H,12H2,1-2H3
InChIKeyYQSZHCXCUDINAM-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine (CID 5155686) is 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine is COc1ccc(-n2nc(C)cc2N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
The InChIKey is YQSZHCXCUDINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-7-11(12)14(13-8)9-3-5-10(15-2)6-4-9/h3-7H,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine?
2-(4-methoxyphenyl)-5-methylpyrazol-3-amine has a molecular weight of 203.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 5155686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).