N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine

C20H19N5 — CID 133416813

IUPACN-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H19N5/c1-15(24-20-18-9-5-6-10-19(18)21-14-22-20)17-11-23-25(13-17)12-16-7-3-2-4-8-16/h2-11,13-15H,12H2,1H3,(H,21,22,24)
InChIKeyNQEFMKMMTAFBQY-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.05
Rot. Bonds5

About N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine

N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine (PubChem CID 133416813) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
PubChem CID133416813
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H19N5/c1-15(24-20-18-9-5-6-10-19(18)21-14-22-20)17-11-23-25(13-17)12-16-7-3-2-4-8-16/h2-11,13-15H,12H2,1H3,(H,21,22,24)
InChIKeyNQEFMKMMTAFBQY-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
CID 133416847
N-(1,2-diphenylethyl)quinazolin-4-amine
CID 67604516
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
CID 97108308
N-(1-benzylpyrazol-3-yl)quinazolin-4-amine
CID 133287406
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 56557436
N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
CID 65029030
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
CID 60677573
N-(2-benzylindazol-5-yl)quinazolin-4-amine
CID 101111695
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine (CID 133416813) is N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine is CC(Nc1ncnc2ccccc12)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is NQEFMKMMTAFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15(24-20-18-9-5-6-10-19(18)21-14-22-20)17-11-23-25(13-17)12-16-7-3-2-4-8-16/h2-11,13-15H,12H2,1H3,(H,21,22,24).
What are the key properties of N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine?
N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133416813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).