1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid

C14H21N3O3 — CID 66122346

IUPAC1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCCCC2C(=O)O)n(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-9-12(17(4-2)15-10)13(18)16-8-6-5-7-11(16)14(19)20/h9,11H,3-8H2,1-2H3,(H,19,20)
InChIKeyWJQOZSJMUXNUHF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds4

About 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid

1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66122346) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID66122346
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCCCC2C(=O)O)n(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-9-12(17(4-2)15-10)13(18)16-8-6-5-7-11(16)14(19)20/h9,11H,3-8H2,1-2H3,(H,19,20)
InChIKeyWJQOZSJMUXNUHF-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77113104
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829
(1,3-diethylpyrazol-5-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66122565
1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541209
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 66120366
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 120514933
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069278
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid (CID 66122346) is 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid is CCc1cc(C(=O)N2CCCCC2C(=O)O)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WJQOZSJMUXNUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10-9-12(17(4-2)15-10)13(18)16-8-6-5-7-11(16)14(19)20/h9,11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid?
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66122346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).