4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one

C19H16FN3O2 — CID 110884978

IUPAC4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(CC(O)c3ccc(F)cc3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C19H16FN3O2/c1-12-10-18-22(11-17(24)13-6-8-14(20)9-7-13)19(25)15-4-2-3-5-16(15)23(18)21-12/h2-10,17,24H,11H2,1H3
InChIKeyIXCULCGVZQNHHS-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.83
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one

4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 110884978) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID110884978
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(CC(O)c3ccc(F)cc3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C19H16FN3O2/c1-12-10-18-22(11-17(24)13-6-8-14(20)9-7-13)19(25)15-4-2-3-5-16(15)23(18)21-12/h2-10,17,24H,11H2,1H3
InChIKeyIXCULCGVZQNHHS-UHFFFAOYSA-N
XLogP2.83
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one
CID 99827748
4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 51112859
4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361748
4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 42947268
4-[2-(2,5-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361679
4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361724
1-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55514937
N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide
CID 122551894
3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one
CID 110883403
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
6-bromo-3-[2-(4-fluorophenyl)-2-hydroxyethyl]quinazolin-4-one
CID 51338339

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one (CID 110884978) is 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(CC(O)c3ccc(F)cc3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is IXCULCGVZQNHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-10-18-22(11-17(24)13-6-8-14(20)9-7-13)19(25)15-4-2-3-5-16(15)23(18)21-12/h2-10,17,24H,11H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 337.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 110884978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).