[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine

C12H15N3O — CID 171393046

IUPAC[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine
SMILESCOc1cc(CN)cc(-c2ccnn2C)c1
InChIInChI=1S/C12H15N3O/c1-15-12(3-4-14-15)10-5-9(8-13)6-11(7-10)16-2/h3-7H,8,13H2,1-2H3
InChIKeyRCCOVOJVLGWZMA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.55
Rot. Bonds3

About [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine

[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine (PubChem CID 171393046) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine
PubChem CID171393046
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine
SMILESCOc1cc(CN)cc(-c2ccnn2C)c1
InChIInChI=1S/C12H15N3O/c1-15-12(3-4-14-15)10-5-9(8-13)6-11(7-10)16-2/h3-7H,8,13H2,1-2H3
InChIKeyRCCOVOJVLGWZMA-UHFFFAOYSA-N
XLogP1.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine (CID 171393046) is [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine is COc1cc(CN)cc(-c2ccnn2C)c1.
What is the InChIKey of [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is RCCOVOJVLGWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-12(3-4-14-15)10-5-9(8-13)6-11(7-10)16-2/h3-7H,8,13H2,1-2H3.
What are the key properties of [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine?
[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 171393046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).