4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline

C16H15N3O — CID 46888031

IUPAC4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline
SMILESCOc1ccccc1-c1cc(-c2ccc(N)cc2)n[nH]1
InChIInChI=1S/C16H15N3O/c1-20-16-5-3-2-4-13(16)15-10-14(18-19-15)11-6-8-12(17)9-7-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyQUJACWBKYBSNPQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.33
Rot. Bonds3

About 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline

4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline (PubChem CID 46888031) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline
PubChem CID46888031
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline
SMILESCOc1ccccc1-c1cc(-c2ccc(N)cc2)n[nH]1
InChIInChI=1S/C16H15N3O/c1-20-16-5-3-2-4-13(16)15-10-14(18-19-15)11-6-8-12(17)9-7-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyQUJACWBKYBSNPQ-UHFFFAOYSA-N
XLogP3.33
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline?
The IUPAC name of 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline (CID 46888031) is 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline is COc1ccccc1-c1cc(-c2ccc(N)cc2)n[nH]1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline?
The InChIKey is QUJACWBKYBSNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-5-3-2-4-13(16)15-10-14(18-19-15)11-6-8-12(17)9-7-11/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline?
4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline has a molecular weight of 265.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline is sourced from PubChem (CID 46888031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).