1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid

C16H19N3O4S — CID 167978088

IUPAC1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C(=O)O)nn(C)c1C
InChIInChI=1S/C16H19N3O4S/c1-10-6-7-13-12(9-10)5-4-8-19(13)24(22,23)15-11(2)18(3)17-14(15)16(20)21/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyZYORUMJIJODWAB-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.88
Rot. Bonds3

About 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid

1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid (PubChem CID 167978088) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid
PubChem CID167978088
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C(=O)O)nn(C)c1C
InChIInChI=1S/C16H19N3O4S/c1-10-6-7-13-12(9-10)5-4-8-19(13)24(22,23)15-11(2)18(3)17-14(15)16(20)21/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyZYORUMJIJODWAB-UHFFFAOYSA-N
XLogP1.88
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
CID 51170271
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 22205745
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62150985
4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60724712
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
1-(3-bromo-4-methoxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 31324854
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714841
6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 91956362

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid (CID 167978088) is 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid is Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C(=O)O)nn(C)c1C.
What is the InChIKey of 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid?
The InChIKey is ZYORUMJIJODWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-6-7-13-12(9-10)5-4-8-19(13)24(22,23)15-11(2)18(3)17-14(15)16(20)21/h6-7,9H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid?
1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 167978088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).