2-(1-benzylpyrazol-4-yl)aniline

C16H15N3 — CID 63338467

IUPAC2-(1-benzylpyrazol-4-yl)aniline
SMILESNc1ccccc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H15N3/c17-16-9-5-4-8-15(16)14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11,17H2
InChIKeyUNNKNFXTBJIWPM-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.18
Rot. Bonds3

About 2-(1-benzylpyrazol-4-yl)aniline

2-(1-benzylpyrazol-4-yl)aniline (PubChem CID 63338467) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)aniline
PubChem CID63338467
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(1-benzylpyrazol-4-yl)aniline
SMILESNc1ccccc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H15N3/c17-16-9-5-4-8-15(16)14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11,17H2
InChIKeyUNNKNFXTBJIWPM-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.18
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

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
2-[1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]aniline
CID 63338473
4-[[4-(2-aminophenyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
CID 63883306
2-[1-(2-phenoxyethyl)pyrazol-4-yl]aniline
CID 63338298
3-[4-(2-aminophenyl)pyrazol-1-yl]-2,2-dimethylpropanoic acid
CID 79624811
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
2-[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338379
2-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338336
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
2-[1-(3-ethylsulfanylpropyl)pyrazol-4-yl]aniline
CID 113473561
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
3-bromo-2-[(4-phenylpyrazol-1-yl)methyl]aniline
CID 62770783

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)aniline?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)aniline (CID 63338467) is 2-(1-benzylpyrazol-4-yl)aniline.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)aniline?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)aniline is Nc1ccccc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)aniline?
The InChIKey is UNNKNFXTBJIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16-9-5-4-8-15(16)14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11,17H2.
What are the key properties of 2-(1-benzylpyrazol-4-yl)aniline?
2-(1-benzylpyrazol-4-yl)aniline has a molecular weight of 249.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)aniline is sourced from PubChem (CID 63338467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).