N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide

C19H24N4O2 — CID 166307911

IUPACN-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCN1CC(C)(NC(=O)c2ccnn2CCc2ccccc2)CCC1=O
InChIInChI=1S/C19H24N4O2/c1-19(11-8-17(24)22(2)14-19)21-18(25)16-9-12-20-23(16)13-10-15-6-4-3-5-7-15/h3-7,9,12H,8,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyLCUAQZHAHHTBMV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.87
Rot. Bonds5

About N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide

N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide (PubChem CID 166307911) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide
PubChem CID166307911
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCN1CC(C)(NC(=O)c2ccnn2CCc2ccccc2)CCC1=O
InChIInChI=1S/C19H24N4O2/c1-19(11-8-17(24)22(2)14-19)21-18(25)16-9-12-20-23(16)13-10-15-6-4-3-5-7-15/h3-7,9,12H,8,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyLCUAQZHAHHTBMV-UHFFFAOYSA-N
XLogP1.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide (CID 166307911) is N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide is CN1CC(C)(NC(=O)c2ccnn2CCc2ccccc2)CCC1=O.
What is the InChIKey of N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is LCUAQZHAHHTBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(11-8-17(24)22(2)14-19)21-18(25)16-9-12-20-23(16)13-10-15-6-4-3-5-7-15/h3-7,9,12H,8,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide?
N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-oxopiperidin-3-yl)-2-(2-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166307911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).