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

C15H17N3O2 — CID 117431145

IUPAC1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid
SMILESCN1CCCc2c(-c3cc(C(=O)O)nn3C)cccc21
InChIInChI=1S/C15H17N3O2/c1-17-8-4-6-10-11(5-3-7-13(10)17)14-9-12(15(19)20)16-18(14)2/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyNIBGCFDVKXRPDO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.17
Rot. Bonds2

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

1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid (PubChem CID 117431145) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid
PubChem CID117431145
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid
SMILESCN1CCCc2c(-c3cc(C(=O)O)nn3C)cccc21
InChIInChI=1S/C15H17N3O2/c1-17-8-4-6-10-11(5-3-7-13(10)17)14-9-12(15(19)20)16-18(14)2/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyNIBGCFDVKXRPDO-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 136968295
1-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrazole-3-carboxylic acid
CID 117394178
5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089
1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)pyrazole-3-carboxylic acid
CID 117438500
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-1-methylpyrazole-3-carboxylic acid
CID 135547041
1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
CID 117396362
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-(2-bromo-6-pyrrolidin-1-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 115111492
1-methyl-5-[2-(2,2,2-trifluoroethyl)phenyl]pyrazole-3-carboxylic acid
CID 117457489
1,5-dimethyl-3,4-dihydro-2H-quinoline;ethane
CID 144655769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid (CID 117431145) is 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid is CN1CCCc2c(-c3cc(C(=O)O)nn3C)cccc21.
What is the InChIKey of 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid?
The InChIKey is NIBGCFDVKXRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-8-4-6-10-11(5-3-7-13(10)17)14-9-12(15(19)20)16-18(14)2/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid?
1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 117431145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).