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

C23H24N4O3 — CID 24979539

IUPACethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(29)18-9-7-13-26(15-18)22(28)20-16-27(19-10-4-3-5-11-19)25-21(20)17-8-6-12-24-14-17/h3-6,8,10-12,14,16,18H,2,7,9,13,15H2,1H3
InChIKeyJNDXSLDFUYNMIS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.35
Rot. Bonds5

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

ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24979539) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID24979539
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Nameethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(29)18-9-7-13-26(15-18)22(28)20-16-27(19-10-4-3-5-11-19)25-21(20)17-8-6-12-24-14-17/h3-6,8,10-12,14,16,18H,2,7,9,13,15H2,1H3
InChIKeyJNDXSLDFUYNMIS-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-3-carboxylate?
The IUPAC name of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate (CID 24979539) is ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1.
What is the InChIKey of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is JNDXSLDFUYNMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-30-23(29)18-9-7-13-26(15-18)22(28)20-16-27(19-10-4-3-5-11-19)25-21(20)17-8-6-12-24-14-17/h3-6,8,10-12,14,16,18H,2,7,9,13,15H2,1H3.
What are the key properties of ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-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-3-carboxylate is sourced from PubChem (CID 24979539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).