N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine

C20H19N5 — CID 86902802

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine
SMILESCc1cnn(CCNc2nc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C20H19N5/c1-15-13-22-25(14-15)12-11-21-20-23-18-10-6-5-9-17(18)19(24-20)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23,24)
InChIKeyQUHVILPDLBTQFK-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine

N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine (PubChem CID 86902802) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine
PubChem CID86902802
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine
SMILESCc1cnn(CCNc2nc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C20H19N5/c1-15-13-22-25(14-15)12-11-21-20-23-18-10-6-5-9-17(18)19(24-20)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23,24)
InChIKeyQUHVILPDLBTQFK-UHFFFAOYSA-N
XLogP3.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine (CID 86902802) is N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine is Cc1cnn(CCNc2nc(-c3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine?
The InChIKey is QUHVILPDLBTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15-13-22-25(14-15)12-11-21-20-23-18-10-6-5-9-17(18)19(24-20)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23,24).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine has a molecular weight of 329.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine is sourced from PubChem (CID 86902802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).