5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid

C15H15N3O3 — CID 117218335

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H15N3O3/c1-17-13(9-11(16-17)15(20)21)14(19)18-8-4-6-10-5-2-3-7-12(10)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,20,21)
InChIKeyKSICAYZTEUUNJC-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.71
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117218335) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117218335
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H15N3O3/c1-17-13(9-11(16-17)15(20)21)14(19)18-8-4-6-10-5-2-3-7-12(10)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,20,21)
InChIKeyKSICAYZTEUUNJC-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
1-methyl-5-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)pyrazole-3-carboxylic acid
CID 154843919
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109091644
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-[6-(N-ethylanilino)pyrimidin-4-yl]methanone
CID 109356710

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid (CID 117218335) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is KSICAYZTEUUNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-13(9-11(16-17)15(20)21)14(19)18-8-4-6-10-5-2-3-7-12(10)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,20,21).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117218335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).