[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine

C11H13N3O — CID 16767326

IUPAC[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CN)cc1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-8(3-5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyIYARYCHVTBTRFD-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.54
Rot. Bonds3

About [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 16767326) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID16767326
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CN)cc1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-8(3-5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyIYARYCHVTBTRFD-UHFFFAOYSA-N
XLogP1.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine (CID 16767326) is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine is COc1ccc(-c2[nH]ncc2CN)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is IYARYCHVTBTRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-10-4-2-8(3-5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 203.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 16767326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).