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

C16H15N3O — CID 73335294

IUPAC3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCOc1ccccc1-c1cn[nH]c1-c1cccc(N)c1
InChIInChI=1S/C16H15N3O/c1-20-15-8-3-2-7-13(15)14-10-18-19-16(14)11-5-4-6-12(17)9-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyGPRXGEHRDZMLII-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.33
Rot. Bonds3

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

3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline (PubChem CID 73335294) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
PubChem CID73335294
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCOc1ccccc1-c1cn[nH]c1-c1cccc(N)c1
InChIInChI=1S/C16H15N3O/c1-20-15-8-3-2-7-13(15)14-10-18-19-16(14)11-5-4-6-12(17)9-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyGPRXGEHRDZMLII-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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Related Compounds

4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline
CID 73335185
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
CID 39222259
1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 105423244
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-(5-phenyl-1H-pyrazol-4-yl)aniline
CID 39222207

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The IUPAC name of 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline (CID 73335294) is 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline is COc1ccccc1-c1cn[nH]c1-c1cccc(N)c1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
The InChIKey is GPRXGEHRDZMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-8-3-2-7-13(15)14-10-18-19-16(14)11-5-4-6-12(17)9-11/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline?
3-[4-(2-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 3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 73335294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).