1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid

C15H16N4O3 — CID 119349450

IUPAC1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H16N4O3/c20-14(18-9-5-11(6-10-18)15(21)22)12-3-1-4-13(17-12)19-8-2-7-16-19/h1-4,7-8,11H,5-6,9-10H2,(H,21,22)
InChIKeyDYCVKZXMVGTKTJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.20
Rot. Bonds3

About 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid

1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119349450) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID119349450
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H16N4O3/c20-14(18-9-5-11(6-10-18)15(21)22)12-3-1-4-13(17-12)19-8-2-7-16-19/h1-4,7-8,11H,5-6,9-10H2,(H,21,22)
InChIKeyDYCVKZXMVGTKTJ-UHFFFAOYSA-N
XLogP1.20
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119518849
(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 71993602
[3-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119594758
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 119436088
1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 146134490
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119436087
2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520706
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid (CID 119349450) is 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is DYCVKZXMVGTKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(18-9-5-11(6-10-18)15(21)22)12-3-1-4-13(17-12)19-8-2-7-16-19/h1-4,7-8,11H,5-6,9-10H2,(H,21,22).
What are the key properties of 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).