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

C16H15N3O — CID 44547368

IUPAC4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]n2)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyKMGFTCFWRIFERG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.33
Rot. Bonds3

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

4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline (PubChem CID 44547368) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
PubChem CID44547368
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]n2)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyKMGFTCFWRIFERG-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'}

Analyze 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline (CID 44547368) is 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline is COc1ccc(-c2cc(-c3ccc(N)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The InChIKey is KMGFTCFWRIFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
4-[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 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 44547368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).