5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide

C17H19FN4O2 — CID 60615723

IUPAC5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCC(=O)NC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c1-2-15-14(17(24)21-12-5-8-16(23)19-9-12)10-20-22(15)13-6-3-11(18)4-7-13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,19,23)(H,21,24)
InChIKeyLORUONSEGICZOK-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.58
Rot. Bonds4

About 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 60615723) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID60615723
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCC(=O)NC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c1-2-15-14(17(24)21-12-5-8-16(23)19-9-12)10-20-22(15)13-6-3-11(18)4-7-13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,19,23)(H,21,24)
InChIKeyLORUONSEGICZOK-UHFFFAOYSA-N
XLogP1.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide (CID 60615723) is 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCC(=O)NC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is LORUONSEGICZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-15-14(17(24)21-12-5-8-16(23)19-9-12)10-20-22(15)13-6-3-11(18)4-7-13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,19,23)(H,21,24).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 60615723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).