1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid

C16H18N4O3 — CID 154846844

IUPAC1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)NCC1CCCc2cccnc21
InChIInChI=1S/C16H18N4O3/c1-20-14(12(9-19-20)16(22)23)15(21)18-8-11-5-2-4-10-6-3-7-17-13(10)11/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,18,21)(H,22,23)
InChIKeyZBRLJDXIBLTJCW-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.36
Rot. Bonds4

About 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid

1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid (PubChem CID 154846844) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
PubChem CID154846844
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)NCC1CCCc2cccnc21
InChIInChI=1S/C16H18N4O3/c1-20-14(12(9-19-20)16(22)23)15(21)18-8-11-5-2-4-10-6-3-7-17-13(10)11/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,18,21)(H,22,23)
InChIKeyZBRLJDXIBLTJCW-UHFFFAOYSA-N
XLogP1.36
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 166284928
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 166299853
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
CID 141070718
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid (CID 154846844) is 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)NCC1CCCc2cccnc21.
What is the InChIKey of 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
The InChIKey is ZBRLJDXIBLTJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-20-14(12(9-19-20)16(22)23)15(21)18-8-11-5-2-4-10-6-3-7-17-13(10)11/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid?
1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid has a molecular weight of 314.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 154846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).