ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate

C20H26N4O4 — CID 16749340

IUPACethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)N1CCCCC1
InChIInChI=1S/C20H26N4O4/c1-2-28-19(26)16-13-21-24(14-17(25)15-9-5-3-6-10-15)18(16)22-20(27)23-11-7-4-8-12-23/h3,5-6,9-10,13,17,25H,2,4,7-8,11-12,14H2,1H3,(H,22,27)
InChIKeyUDUANNRKCXGSDD-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.81
Rot. Bonds6

About ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate

ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate (PubChem CID 16749340) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate
PubChem CID16749340
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)N1CCCCC1
InChIInChI=1S/C20H26N4O4/c1-2-28-19(26)16-13-21-24(14-17(25)15-9-5-3-6-10-15)18(16)22-20(27)23-11-7-4-8-12-23/h3,5-6,9-10,13,17,25H,2,4,7-8,11-12,14H2,1H3,(H,22,27)
InChIKeyUDUANNRKCXGSDD-UHFFFAOYSA-N
XLogP2.81
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate (CID 16749340) is ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)N1CCCCC1.
What is the InChIKey of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate?
The InChIKey is UDUANNRKCXGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-2-28-19(26)16-13-21-24(14-17(25)15-9-5-3-6-10-15)18(16)22-20(27)23-11-7-4-8-12-23/h3,5-6,9-10,13,17,25H,2,4,7-8,11-12,14H2,1H3,(H,22,27).
What are the key properties of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate?
ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 16749340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).