4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid

C13H19N3O3 — CID 63125421

IUPAC4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cn2cccn2)CC1
InChIInChI=1S/C13H19N3O3/c1-2-13(12(18)19)4-8-15(9-5-13)11(17)10-16-7-3-6-14-16/h3,6-7H,2,4-5,8-10H2,1H3,(H,18,19)
InChIKeyRGWPREWMRHOIGL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.99
Rot. Bonds4

About 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid (PubChem CID 63125421) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
PubChem CID63125421
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cn2cccn2)CC1
InChIInChI=1S/C13H19N3O3/c1-2-13(12(18)19)4-8-15(9-5-13)11(17)10-16-7-3-6-14-16/h3,6-7H,2,4-5,8-10H2,1H3,(H,18,19)
InChIKeyRGWPREWMRHOIGL-UHFFFAOYSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262
4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63125606
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
1-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid (CID 63125421) is 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Cn2cccn2)CC1.
What is the InChIKey of 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
The InChIKey is RGWPREWMRHOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-13(12(18)19)4-8-15(9-5-13)11(17)10-16-7-3-6-14-16/h3,6-7H,2,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).