6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid

C21H25N3O3 — CID 122113801

IUPAC6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1-n1nc(C(=O)N2CC(C(=O)O)CCC2C)c2c1CCC2
InChIInChI=1S/C21H25N3O3/c1-13-6-3-4-8-17(13)24-18-9-5-7-16(18)19(22-24)20(25)23-12-15(21(26)27)11-10-14(23)2/h3-4,6,8,14-15H,5,7,9-12H2,1-2H3,(H,26,27)
InChIKeyABDJLDBHJGRSAU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.99
Rot. Bonds3

About 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid

6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 122113801) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID122113801
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1-n1nc(C(=O)N2CC(C(=O)O)CCC2C)c2c1CCC2
InChIInChI=1S/C21H25N3O3/c1-13-6-3-4-8-17(13)24-18-9-5-7-16(18)19(22-24)20(25)23-12-15(21(26)27)11-10-14(23)2/h3-4,6,8,14-15H,5,7,9-12H2,1-2H3,(H,26,27)
InChIKeyABDJLDBHJGRSAU-UHFFFAOYSA-N
XLogP2.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid (CID 122113801) is 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid is Cc1ccccc1-n1nc(C(=O)N2CC(C(=O)O)CCC2C)c2c1CCC2.
What is the InChIKey of 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is ABDJLDBHJGRSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-6-3-4-8-17(13)24-18-9-5-7-16(18)19(22-24)20(25)23-12-15(21(26)27)11-10-14(23)2/h3-4,6,8,14-15H,5,7,9-12H2,1-2H3,(H,26,27).
What are the key properties of 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?
6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122113801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).