ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate

C19H24N4O3 — CID 2816009

IUPACethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC1
InChIInChI=1S/C19H24N4O3/c1-2-26-19(25)16-13-20-23(15-9-5-3-6-10-15)18(16)21-17(24)14-22-11-7-4-8-12-22/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3,(H,21,24)
InChIKeyXITPOWMVYJXOEV-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.47
Rot. Bonds6

About ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate

ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate (PubChem CID 2816009) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate
PubChem CID2816009
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC1
InChIInChI=1S/C19H24N4O3/c1-2-26-19(25)16-13-20-23(15-9-5-3-6-10-15)18(16)21-17(24)14-22-11-7-4-8-12-22/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3,(H,21,24)
InChIKeyXITPOWMVYJXOEV-UHFFFAOYSA-N
XLogP2.47
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate (CID 2816009) is ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC1.
What is the InChIKey of ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate?
The InChIKey is XITPOWMVYJXOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-26-19(25)16-13-20-23(15-9-5-3-6-10-15)18(16)21-17(24)14-22-11-7-4-8-12-22/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3,(H,21,24).
What are the key properties of ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate?
ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5-[(2-piperidin-1-ylacetyl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 2816009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).