2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one

C15H14F3N3O2 — CID 99827748

IUPAC2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(C[C@H](O)CC(F)(F)F)c(=O)c3ccccc3n2n1
InChIInChI=1S/C15H14F3N3O2/c1-9-6-13-20(8-10(22)7-15(16,17)18)14(23)11-4-2-3-5-12(11)21(13)19-9/h2-6,10,22H,7-8H2,1H3/t10-/m1/s1
InChIKeyITKCKRVVXKBDBT-SNVBAGLBSA-N
MW325.29 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one

2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 99827748) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID99827748
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(C[C@H](O)CC(F)(F)F)c(=O)c3ccccc3n2n1
InChIInChI=1S/C15H14F3N3O2/c1-9-6-13-20(8-10(22)7-15(16,17)18)14(23)11-4-2-3-5-12(11)21(13)19-9/h2-6,10,22H,7-8H2,1H3/t10-/m1/s1
InChIKeyITKCKRVVXKBDBT-SNVBAGLBSA-N
XLogP2.27
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 110884978
4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 51112859
4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 42947268
N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide
CID 122551894
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 122551888
4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361748
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
4-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058645
2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one
CID 166319763
3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
CID 32515769

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one (CID 99827748) is 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(C[C@H](O)CC(F)(F)F)c(=O)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is ITKCKRVVXKBDBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9-6-13-20(8-10(22)7-15(16,17)18)14(23)11-4-2-3-5-12(11)21(13)19-9/h2-6,10,22H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one?
2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 325.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 99827748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).