4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline

C16H15N3O — CID 58195321

IUPAC4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline
SMILESCOc1ccc(N)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N3O/c1-20-16-8-7-12(17)9-13(16)15-10-14(18-19-15)11-5-3-2-4-6-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyFBYQRQOSGBKEFH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.33
Rot. Bonds3

About 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline

4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline (PubChem CID 58195321) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline
PubChem CID58195321
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline
SMILESCOc1ccc(N)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N3O/c1-20-16-8-7-12(17)9-13(16)15-10-14(18-19-15)11-5-3-2-4-6-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyFBYQRQOSGBKEFH-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-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline?
The IUPAC name of 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline (CID 58195321) is 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline?
The canonical SMILES for 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline is COc1ccc(N)cc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline?
The InChIKey is FBYQRQOSGBKEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-8-7-12(17)9-13(16)15-10-14(18-19-15)11-5-3-2-4-6-11/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline?
4-methoxy-3-(3-phenyl-1H-pyrazol-5-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-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 58195321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).