2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine

C17H12FN5 — CID 70693803

IUPAC2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C17H12FN5/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(22-16)21-15-9-10-19-23-15/h1-10H,(H2,19,20,21,22,23)
InChIKeyREUDMXPMMLBGBT-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine

2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 70693803) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID70693803
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C17H12FN5/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(22-16)21-15-9-10-19-23-15/h1-10H,(H2,19,20,21,22,23)
InChIKeyREUDMXPMMLBGBT-UHFFFAOYSA-N
XLogP3.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 70693803) is 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine is Fc1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is REUDMXPMMLBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(22-16)21-15-9-10-19-23-15/h1-10H,(H2,19,20,21,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 305.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 70693803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).