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

C20H19N5 — CID 133281826

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine
SMILESCc1cnn(CCNc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H19N5/c1-15-13-22-25(14-15)12-11-21-20-17-9-5-6-10-18(17)23-19(24-20)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23,24)
InChIKeyRWEKESMDTQKOGI-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.91
Rot. Bonds5

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

N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine (PubChem CID 133281826) 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]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine
PubChem CID133281826
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine
SMILESCc1cnn(CCNc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H19N5/c1-15-13-22-25(14-15)12-11-21-20-17-9-5-6-10-18(17)23-19(24-20)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23,24)
InChIKeyRWEKESMDTQKOGI-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

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Related Compounds

N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine
CID 86902802
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]quinolin-4-amine
CID 133401471
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
CID 103703002
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
CID 166192855
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
CID 103868131
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine
CID 133332022

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine (CID 133281826) is N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine is Cc1cnn(CCNc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine?
The InChIKey is RWEKESMDTQKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15-13-22-25(14-15)12-11-21-20-17-9-5-6-10-18(17)23-19(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]-2-phenylquinazolin-4-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-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]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 133281826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).