2-(1-methylpyrazol-3-yl)-4-phenylaniline

C16H15N3 — CID 169043582

IUPAC2-(1-methylpyrazol-3-yl)-4-phenylaniline
SMILESCn1ccc(-c2cc(-c3ccccc3)ccc2N)n1
InChIInChI=1S/C16H15N3/c1-19-10-9-16(18-19)14-11-13(7-8-15(14)17)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeyAALBCZVTTIVIHN-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.34
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)-4-phenylaniline

2-(1-methylpyrazol-3-yl)-4-phenylaniline (PubChem CID 169043582) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-4-phenylaniline.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-4-phenylaniline
PubChem CID169043582
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(1-methylpyrazol-3-yl)-4-phenylaniline
SMILESCn1ccc(-c2cc(-c3ccccc3)ccc2N)n1
InChIInChI=1S/C16H15N3/c1-19-10-9-16(18-19)14-11-13(7-8-15(14)17)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeyAALBCZVTTIVIHN-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
2-ethyl-4-(1-methylpyrazol-3-yl)aniline
CID 103131564
4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline
CID 168964683
4-(4-chlorophenyl)-2-(1-methylpyrazol-3-yl)benzonitrile
CID 168964782
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
2-(2,4-diphenylphenyl)aniline
CID 163426287
1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
CID 137458249
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
3-[5-(4-fluorophenyl)-2-nitrophenyl]-1-methylpyrazole
CID 169043520
2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
CID 169488588
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-4-phenylaniline?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-4-phenylaniline (CID 169043582) is 2-(1-methylpyrazol-3-yl)-4-phenylaniline.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-4-phenylaniline?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-4-phenylaniline is Cn1ccc(-c2cc(-c3ccccc3)ccc2N)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-4-phenylaniline?
The InChIKey is AALBCZVTTIVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-19-10-9-16(18-19)14-11-13(7-8-15(14)17)12-5-3-2-4-6-12/h2-11H,17H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-4-phenylaniline?
2-(1-methylpyrazol-3-yl)-4-phenylaniline has a molecular weight of 249.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-4-phenylaniline is sourced from PubChem (CID 169043582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).