[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine

C12H15N3O — CID 3157815

IUPAC[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(CN)cc1Cn1cccn1
InChIInChI=1S/C12H15N3O/c1-16-12-4-3-10(8-13)7-11(12)9-15-6-2-5-14-15/h2-7H,8-9,13H2,1H3
InChIKeyJFFAOHPCMDBNOJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.40
Rot. Bonds4

About [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine

[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 3157815) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID3157815
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(CN)cc1Cn1cccn1
InChIInChI=1S/C12H15N3O/c1-16-12-4-3-10(8-13)7-11(12)9-15-6-2-5-14-15/h2-7H,8-9,13H2,1H3
InChIKeyJFFAOHPCMDBNOJ-UHFFFAOYSA-N
XLogP1.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 3157815) is [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine is COc1ccc(CN)cc1Cn1cccn1.
What is the InChIKey of [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is JFFAOHPCMDBNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12-4-3-10(8-13)7-11(12)9-15-6-2-5-14-15/h2-7H,8-9,13H2,1H3.
What are the key properties of [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine?
[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 3157815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).