6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid

C15H18N4O2 — CID 122048040

IUPAC6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(Cn3cccn3)CC2)n1
InChIInChI=1S/C15H18N4O2/c20-15(21)13-3-1-4-14(17-13)18-9-5-12(6-10-18)11-19-8-2-7-16-19/h1-4,7-8,12H,5-6,9-11H2,(H,20,21)
InChIKeyAXSGTRBYKFJRIX-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.89
Rot. Bonds4

About 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122048040) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122048040
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(Cn3cccn3)CC2)n1
InChIInChI=1S/C15H18N4O2/c20-15(21)13-3-1-4-14(17-13)18-9-5-12(6-10-18)11-19-8-2-7-16-19/h1-4,7-8,12H,5-6,9-11H2,(H,20,21)
InChIKeyAXSGTRBYKFJRIX-UHFFFAOYSA-N
XLogP1.89
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398
6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122054705
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122048040) is 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(Cn3cccn3)CC2)n1.
What is the InChIKey of 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is AXSGTRBYKFJRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(21)13-3-1-4-14(17-13)18-9-5-12(6-10-18)11-19-8-2-7-16-19/h1-4,7-8,12H,5-6,9-11H2,(H,20,21).
What are the key properties of 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).