3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid

C13H19N3O3 — CID 63138175

IUPAC3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C13H19N3O3/c1-2-5-13(12(18)19)6-3-8-16(9-13)11(17)10-4-7-14-15-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,14,15)(H,18,19)
InChIKeyNPVUPXFYQIDOBN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.52
Rot. Bonds4

About 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid

3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63138175) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID63138175
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C13H19N3O3/c1-2-5-13(12(18)19)6-3-8-16(9-13)11(17)10-4-7-14-15-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,14,15)(H,18,19)
InChIKeyNPVUPXFYQIDOBN-UHFFFAOYSA-N
XLogP1.52
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 79139700
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
(3S)-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97141633
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134677

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid (CID 63138175) is 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is NPVUPXFYQIDOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-5-13(12(18)19)6-3-8-16(9-13)11(17)10-4-7-14-15-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid?
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63138175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).