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3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

C21H22N4O2 — CID 147508081

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Cc1nn(C2CCCNC2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-25(24-20)17-7-4-9-22-13-17/h1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27)
InChIKeyFISSYKWXTDGWQN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.16
Rot. Bonds5

About 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 147508081) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID147508081
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Cc1nn(C2CCCNC2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-25(24-20)17-7-4-9-22-13-17/h1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27)
InChIKeyFISSYKWXTDGWQN-UHFFFAOYSA-N
XLogP3.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 147508081) is 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Cc1nn(C2CCCNC2)cc1-c1ccccc1.
What is the InChIKey of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is FISSYKWXTDGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-25(24-20)17-7-4-9-22-13-17/h1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27).
What are the key properties of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 147508081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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