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

C16H15N3O — CID 54852112

IUPAC2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCOc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C16H15N3O/c1-20-12-8-6-11(7-9-12)15-10-16(19-18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyIOSIVKFSLVJTKX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.33
Rot. Bonds3

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

2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline (PubChem CID 54852112) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
PubChem CID54852112
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCOc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C16H15N3O/c1-20-12-8-6-11(7-9-12)15-10-16(19-18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyIOSIVKFSLVJTKX-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 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline (CID 54852112) is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline is COc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The InChIKey is IOSIVKFSLVJTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-12-8-6-11(7-9-12)15-10-16(19-18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
2-[3-(4-methoxyphenyl)-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 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 54852112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).