4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine

C15H14N4 — CID 118987036

IUPAC4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1cccc(-c2cccc(-c3cn[nH]c3N)c2)c1
InChIInChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)
InChIKeyXJQYSQDWCYFLKB-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.91
Rot. Bonds2

About 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine

4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 118987036) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine
PubChem CID118987036
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1cccc(-c2cccc(-c3cn[nH]c3N)c2)c1
InChIInChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)
InChIKeyXJQYSQDWCYFLKB-UHFFFAOYSA-N
XLogP2.91
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
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 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine (CID 118987036) is 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine is Nc1cccc(-c2cccc(-c3cn[nH]c3N)c2)c1.
What is the InChIKey of 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is XJQYSQDWCYFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19).
What are the key properties of 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine?
4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 250.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 118987036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).