2-phenyl-4-(1H-pyrazol-4-yl)quinazoline

C17H12N4 — CID 39834394

IUPAC2-phenyl-4-(1H-pyrazol-4-yl)quinazoline
SMILESc1ccc(-c2nc(-c3cn[nH]c3)c3ccccc3n2)cc1
InChIInChI=1S/C17H12N4/c1-2-6-12(7-3-1)17-20-15-9-5-4-8-14(15)16(21-17)13-10-18-19-11-13/h1-11H,(H,18,19)
InChIKeySAMCNPFIELFLPB-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.69
Rot. Bonds2

About 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline

2-phenyl-4-(1H-pyrazol-4-yl)quinazoline (PubChem CID 39834394) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name2-phenyl-4-(1H-pyrazol-4-yl)quinazoline
PubChem CID39834394
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name2-phenyl-4-(1H-pyrazol-4-yl)quinazoline
SMILESc1ccc(-c2nc(-c3cn[nH]c3)c3ccccc3n2)cc1
InChIInChI=1S/C17H12N4/c1-2-6-12(7-3-1)17-20-15-9-5-4-8-14(15)16(21-17)13-10-18-19-11-13/h1-11H,(H,18,19)
InChIKeySAMCNPFIELFLPB-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
21-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475328
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline?
The IUPAC name of 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline (CID 39834394) is 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline.
What is the SMILES notation for 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline?
The canonical SMILES for 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline is c1ccc(-c2nc(-c3cn[nH]c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline?
The InChIKey is SAMCNPFIELFLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-6-12(7-3-1)17-20-15-9-5-4-8-14(15)16(21-17)13-10-18-19-11-13/h1-11H,(H,18,19).
What are the key properties of 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline?
2-phenyl-4-(1H-pyrazol-4-yl)quinazoline has a molecular weight of 272.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1H-pyrazol-4-yl)quinazoline is sourced from PubChem (CID 39834394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).