5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine

C20H19N5 — CID 133361511

IUPAC5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
SMILESCc1cccc2ncnc(NC(C)c3ccccc3-n3cccn3)c12
InChIInChI=1S/C20H19N5/c1-14-7-5-9-17-19(14)20(22-13-21-17)24-15(2)16-8-3-4-10-18(16)25-12-6-11-23-25/h3-13,15H,1-2H3,(H,21,22,24)
InChIKeyDIRLEDQLLIQFIG-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.30
Rot. Bonds4

About 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine

5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine (PubChem CID 133361511) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
PubChem CID133361511
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
SMILESCc1cccc2ncnc(NC(C)c3ccccc3-n3cccn3)c12
InChIInChI=1S/C20H19N5/c1-14-7-5-9-17-19(14)20(22-13-21-17)24-15(2)16-8-3-4-10-18(16)25-12-6-11-23-25/h3-13,15H,1-2H3,(H,21,22,24)
InChIKeyDIRLEDQLLIQFIG-UHFFFAOYSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine (CID 133361511) is 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine is Cc1cccc2ncnc(NC(C)c3ccccc3-n3cccn3)c12.
What is the InChIKey of 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is DIRLEDQLLIQFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-7-5-9-17-19(14)20(22-13-21-17)24-15(2)16-8-3-4-10-18(16)25-12-6-11-23-25/h3-13,15H,1-2H3,(H,21,22,24).
What are the key properties of 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133361511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).