4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one

C19H19N3O — CID 90893328

IUPAC4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=C1C2C(NN1c1ccccc1)c1ccccc1NC2C1CC1
InChIInChI=1S/C19H19N3O/c23-19-16-17(12-10-11-12)20-15-9-5-4-8-14(15)18(16)21-22(19)13-6-2-1-3-7-13/h1-9,12,16-18,20-21H,10-11H2
InChIKeyVCBGGROTBTYSHF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.10
Rot. Bonds2

About 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one

4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 90893328) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID90893328
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=C1C2C(NN1c1ccccc1)c1ccccc1NC2C1CC1
InChIInChI=1S/C19H19N3O/c23-19-16-17(12-10-11-12)20-15-9-5-4-8-14(15)18(16)21-22(19)13-6-2-1-3-7-13/h1-9,12,16-18,20-21H,10-11H2
InChIKeyVCBGGROTBTYSHF-UHFFFAOYSA-N
XLogP3.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,7R)-4-phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13,15,17,19-hexaene-3,6-dione
CID 1349558
4-phenyl-4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
CID 604683
3-cyclopropyl-1-phenyl-1,4-diazepane-2,5-dione
CID 64958816
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819
6-(2-chlorophenyl)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 74661619
4-phenylspiro[4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-11,1'-cyclopropane]-3,6-dione
CID 3841543
(1R,2R,7R,8S)-4-phenylspiro[4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-11,1'-cyclopropane]-3,6-dione
CID 7390558
4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
CID 3041629
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
4-[(1S,2S,10R,11S,12S)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-trien-10-yl]benzoic acid
CID 98044163
3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one
CID 102330329
(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one
CID 134962981

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one (CID 90893328) is 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one is O=C1C2C(NN1c1ccccc1)c1ccccc1NC2C1CC1.
What is the InChIKey of 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is VCBGGROTBTYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19-16-17(12-10-11-12)20-15-9-5-4-8-14(15)18(16)21-22(19)13-6-2-1-3-7-13/h1-9,12,16-18,20-21H,10-11H2.
What are the key properties of 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one?
4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 305.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-phenyl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 90893328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).