N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline

C26H20N4 — CID 90070716

IUPACN-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline
SMILESc1ccc(-c2ccnn2-c2cccc(Nc3cccc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C26H20N4/c1-2-8-20(9-3-1)26-15-17-28-30(26)24-13-7-12-23(19-24)29-22-11-6-10-21(18-22)25-14-4-5-16-27-25/h1-19,29H
InChIKeyIUWDYBHHHUHNQB-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.34
Rot. Bonds5

About N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline

N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline (PubChem CID 90070716) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline.

Molecular Properties

Compound NameN-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline
PubChem CID90070716
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC NameN-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline
SMILESc1ccc(-c2ccnn2-c2cccc(Nc3cccc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C26H20N4/c1-2-8-20(9-3-1)26-15-17-28-30(26)24-13-7-12-23(19-24)29-22-11-6-10-21(18-22)25-14-4-5-16-27-25/h1-19,29H
InChIKeyIUWDYBHHHUHNQB-UHFFFAOYSA-N
XLogP6.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline?
The IUPAC name of N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline (CID 90070716) is N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline.
What is the SMILES notation for N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline?
The canonical SMILES for N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline is c1ccc(-c2ccnn2-c2cccc(Nc3cccc(-c4ccccn4)c3)c2)cc1.
What is the InChIKey of N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline?
The InChIKey is IUWDYBHHHUHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-2-8-20(9-3-1)26-15-17-28-30(26)24-13-7-12-23(19-24)29-22-11-6-10-21(18-22)25-14-4-5-16-27-25/h1-19,29H.
What are the key properties of N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline?
N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline has a molecular weight of 388.47 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline is sourced from PubChem (CID 90070716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).