2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine

C17H17N3 — CID 82039913

IUPAC2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H17N3/c18-11-10-14-6-8-15(9-7-14)16-12-19-20(13-16)17-4-2-1-3-5-17/h1-9,12-13H,10-11,18H2
InChIKeyACFHTNPRUKVPSG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine

2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine (PubChem CID 82039913) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
PubChem CID82039913
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H17N3/c18-11-10-14-6-8-15(9-7-14)16-12-19-20(13-16)17-4-2-1-3-5-17/h1-9,12-13H,10-11,18H2
InChIKeyACFHTNPRUKVPSG-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
CID 82541519
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
benzyl 2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]acetate
CID 166637798
2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
CID 160539387
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine
CID 81470577
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine (CID 82039913) is 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine is NCCc1ccc(-c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine?
The InChIKey is ACFHTNPRUKVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-11-10-14-6-8-15(9-7-14)16-12-19-20(13-16)17-4-2-1-3-5-17/h1-9,12-13H,10-11,18H2.
What are the key properties of 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine?
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 82039913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).