5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one

C13H15N3O — CID 71601386

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN2CCCc3ccccc32)[nH][nH]1
InChIInChI=1S/C13H15N3O/c17-13-8-11(14-15-13)9-16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,8H,3,5,7,9H2,(H2,14,15,17)
InChIKeyLTYXEOHDDXAJPX-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one (PubChem CID 71601386) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one
PubChem CID71601386
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN2CCCc3ccccc32)[nH][nH]1
InChIInChI=1S/C13H15N3O/c17-13-8-11(14-15-13)9-16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,8H,3,5,7,9H2,(H2,14,15,17)
InChIKeyLTYXEOHDDXAJPX-UHFFFAOYSA-N
XLogP1.66
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-Tetrahydroquinolin-1-yl)acetohydrazide
CID 2327118
N-[(1-propyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188349
5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601098
5-[[Methyl(naphthalen-2-yl)amino]methyl]-1,2-dihydropyrazol-3-one
CID 71601241
5-[[Methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one
CID 71601242
N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 19697545
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2999521
4-[Methyl-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]amino]benzonitrile
CID 71601100
5-(2,3-Dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one
CID 71601385
(R)-N-(1,2,3,4-Tetrahydroquinolin-3-yl)acetamide
CID 22882465
(S)-N-(1,2,3,4-Tetrahydroquinolin-3-yl)acetamide
CID 28121821
N-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 28411340

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one (CID 71601386) is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one is O=c1cc(CN2CCCc3ccccc32)[nH][nH]1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is LTYXEOHDDXAJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-8-11(14-15-13)9-16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,8H,3,5,7,9H2,(H2,14,15,17).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 229.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71601386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).