ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate

C23H24N4O3 — CID 2997607

IUPACethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(29)17-10-13-26(14-11-17)22(28)20-16-27(19-8-4-3-5-9-19)25-21(20)18-7-6-12-24-15-18/h3-9,12,15-17H,2,10-11,13-14H2,1H3
InChIKeyGKSOBZGLNITKQM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.35
Rot. Bonds5

About ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 2997607) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID2997607
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Nameethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(29)17-10-13-26(14-11-17)22(28)20-16-27(19-8-4-3-5-9-19)25-21(20)18-7-6-12-24-15-18/h3-9,12,15-17H,2,10-11,13-14H2,1H3
InChIKeyGKSOBZGLNITKQM-UHFFFAOYSA-N
XLogP3.35
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate (CID 2997607) is ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1.
What is the InChIKey of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is GKSOBZGLNITKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-30-23(29)17-10-13-26(14-11-17)22(28)20-16-27(19-8-4-3-5-9-19)25-21(20)18-7-6-12-24-15-18/h3-9,12,15-17H,2,10-11,13-14H2,1H3.
What are the key properties of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2997607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).