4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid

C11H16N4O3 — CID 107344226

IUPAC4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
SMILESNc1cn(CC(=O)N2CCCCC2)nc1C(=O)O
InChIInChI=1S/C11H16N4O3/c12-8-6-15(13-10(8)11(17)18)7-9(16)14-4-2-1-3-5-14/h6H,1-5,7,12H2,(H,17,18)
InChIKeyPXZVPABOEOSUFT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds3

About 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid

4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid (PubChem CID 107344226) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
PubChem CID107344226
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
SMILESNc1cn(CC(=O)N2CCCCC2)nc1C(=O)O
InChIInChI=1S/C11H16N4O3/c12-8-6-15(13-10(8)11(17)18)7-9(16)14-4-2-1-3-5-14/h6H,1-5,7,12H2,(H,17,18)
InChIKeyPXZVPABOEOSUFT-UHFFFAOYSA-N
XLogP0.18
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
CID 107345809
[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 132586598
[4-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-(azepan-1-yl)methanone
CID 132586535
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
4-amino-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344093
2-(4-bromo-3-nitropyrazol-1-yl)-1-piperidin-1-ylethanone
CID 47061719
4-amino-1-[(3-methylcyclobutyl)methyl]pyrazole-3-carboxylic acid
CID 165481539
4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid
CID 165480398
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344279
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid (CID 107344226) is 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid is Nc1cn(CC(=O)N2CCCCC2)nc1C(=O)O.
What is the InChIKey of 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid?
The InChIKey is PXZVPABOEOSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-8-6-15(13-10(8)11(17)18)7-9(16)14-4-2-1-3-5-14/h6H,1-5,7,12H2,(H,17,18).
What are the key properties of 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid?
4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).