N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide

C19H26N4O3 — CID 48637560

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CC(C)OC(C)(C)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O3/c1-13-11-22(12-19(3,4)26-13)18(25)20-16-14(2)21(5)23(17(16)24)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3,(H,20,25)
InChIKeyUEEZUEYKIIRQBF-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.52
Rot. Bonds2

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 48637560) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID48637560
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CC(C)OC(C)(C)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O3/c1-13-11-22(12-19(3,4)26-13)18(25)20-16-14(2)21(5)23(17(16)24)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3,(H,20,25)
InChIKeyUEEZUEYKIIRQBF-UHFFFAOYSA-N
XLogP2.52
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2331096
(3S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 41271465
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide
CID 941659
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1101671
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902509
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopiperidine-3-carboxamide
CID 664928
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
(3R,5S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyladamantane-1-carboxamide
CID 27819709
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide (CID 48637560) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide is Cc1c(NC(=O)N2CC(C)OC(C)(C)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is UEEZUEYKIIRQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-11-22(12-19(3,4)26-13)18(25)20-16-14(2)21(5)23(17(16)24)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3,(H,20,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 48637560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).