2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H10ClN3O — CID 135939590

IUPAC2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3cccc(Cl)c3)nn2c2ccccc12
InChIInChI=1S/C16H10ClN3O/c17-11-5-3-4-10(8-11)13-9-15-18-16(21)12-6-1-2-7-14(12)20(15)19-13/h1-9H,(H,18,21)
InChIKeyFODDBGBISGHKEG-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.50
Rot. Bonds1

About 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939590) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939590
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3cccc(Cl)c3)nn2c2ccccc12
InChIInChI=1S/C16H10ClN3O/c17-11-5-3-4-10(8-11)13-9-15-18-16(21)12-6-1-2-7-14(12)20(15)19-13/h1-9H,(H,18,21)
InChIKeyFODDBGBISGHKEG-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-(4-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983718
4-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyrazolo[3,4-b]quinolin-3-yl}-N-methylbutanamide
CID 23647227
N-(2-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyrazolo[3,4-b]quinolin-3-yl}ethyl)acetamide
CID 23647228
1-(3-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyrazolo[3,4-b]quinolin-3-yl}propyl)-3-ethylurea
CID 23647229
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
2-(3,4-Dichlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983697
2-(3-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983699
US9447106, 134a (peak 1)
CID 137228124

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939590) is 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(-c3cccc(Cl)c3)nn2c2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is FODDBGBISGHKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-11-5-3-4-10(8-11)13-9-15-18-16(21)12-6-1-2-7-14(12)20(15)19-13/h1-9H,(H,18,21).
What are the key properties of 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 295.73 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).