1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid

C16H19N3O2 — CID 63535828

IUPAC1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CC(C)Cc3ccccc32)c1C(=O)O
InChIInChI=1S/C16H19N3O2/c1-10-8-12-6-4-5-7-13(12)19(9-10)15-14(16(20)21)11(2)17-18(15)3/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyOCADREDYRKXJNN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.76
Rot. Bonds2

About 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid

1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid (PubChem CID 63535828) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
PubChem CID63535828
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CC(C)Cc3ccccc32)c1C(=O)O
InChIInChI=1S/C16H19N3O2/c1-10-8-12-6-4-5-7-13(12)19(9-10)15-14(16(20)21)11(2)17-18(15)3/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyOCADREDYRKXJNN-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952095
5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 115424508
5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63423175
5-(3,4-dihydro-2H-quinolin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757894
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947239
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535829
5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535830
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
(4-amino-1-methylpyrazol-3-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65355538
3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one
CID 104787921
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid (CID 63535828) is 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid is Cc1nn(C)c(N2CC(C)Cc3ccccc32)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid?
The InChIKey is OCADREDYRKXJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-12-6-4-5-7-13(12)19(9-10)15-14(16(20)21)11(2)17-18(15)3/h4-7,10H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid?
1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 63535828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).