3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid

C13H19N3O3 — CID 63134182

IUPAC3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C13H19N3O3/c1-3-13(12(18)19)6-4-8-16(9-13)11(17)10-5-7-14-15(10)2/h5,7H,3-4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyRMEKYVUMKQBWDZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds3

About 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid

3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63134182) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID63134182
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C13H19N3O3/c1-3-13(12(18)19)6-4-8-16(9-13)11(17)10-5-7-14-15(10)2/h5,7H,3-4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyRMEKYVUMKQBWDZ-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
ethyl 1-(2-methylpyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 45245881
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123
N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232025
(3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592133
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
1-(1H-benzimidazole-2-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 118766556

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid (CID 63134182) is 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)c2ccnn2C)C1.
What is the InChIKey of 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RMEKYVUMKQBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-13(12(18)19)6-4-8-16(9-13)11(17)10-5-7-14-15(10)2/h5,7H,3-4,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63134182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).