2-methyl-4-(2-phenylpyrazol-3-yl)aniline

C16H15N3 — CID 107331021

IUPAC2-methyl-4-(2-phenylpyrazol-3-yl)aniline
SMILESCc1cc(-c2ccnn2-c2ccccc2)ccc1N
InChIInChI=1S/C16H15N3/c1-12-11-13(7-8-15(12)17)16-9-10-18-19(16)14-5-3-2-4-6-14/h2-11H,17H2,1H3
InChIKeyFJHVFRCBKMKPFN-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.43
Rot. Bonds2

About 2-methyl-4-(2-phenylpyrazol-3-yl)aniline

2-methyl-4-(2-phenylpyrazol-3-yl)aniline (PubChem CID 107331021) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylpyrazol-3-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(2-phenylpyrazol-3-yl)aniline
PubChem CID107331021
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-methyl-4-(2-phenylpyrazol-3-yl)aniline
SMILESCc1cc(-c2ccnn2-c2ccccc2)ccc1N
InChIInChI=1S/C16H15N3/c1-12-11-13(7-8-15(12)17)16-9-10-18-19(16)14-5-3-2-4-6-14/h2-11H,17H2,1H3
InChIKeyFJHVFRCBKMKPFN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
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-methyl-4-(2-phenylpyrazol-3-yl)aniline?
The IUPAC name of 2-methyl-4-(2-phenylpyrazol-3-yl)aniline (CID 107331021) is 2-methyl-4-(2-phenylpyrazol-3-yl)aniline.
What is the SMILES notation for 2-methyl-4-(2-phenylpyrazol-3-yl)aniline?
The canonical SMILES for 2-methyl-4-(2-phenylpyrazol-3-yl)aniline is Cc1cc(-c2ccnn2-c2ccccc2)ccc1N.
What is the InChIKey of 2-methyl-4-(2-phenylpyrazol-3-yl)aniline?
The InChIKey is FJHVFRCBKMKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-11-13(7-8-15(12)17)16-9-10-18-19(16)14-5-3-2-4-6-14/h2-11H,17H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylpyrazol-3-yl)aniline?
2-methyl-4-(2-phenylpyrazol-3-yl)aniline has a molecular weight of 249.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylpyrazol-3-yl)aniline is sourced from PubChem (CID 107331021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).