N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C17H19FN4O3 — CID 71689485

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCc1cc(NC(=O)C2OCC(=O)N(C)C2c2cccc(F)c2)n(C)n1
InChIInChI=1S/C17H19FN4O3/c1-10-7-13(22(3)20-10)19-17(24)16-15(21(2)14(23)9-25-16)11-5-4-6-12(18)8-11/h4-8,15-16H,9H2,1-3H3,(H,19,24)
InChIKeyKZKYYAJGZSJKER-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.40
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 71689485) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID71689485
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCc1cc(NC(=O)C2OCC(=O)N(C)C2c2cccc(F)c2)n(C)n1
InChIInChI=1S/C17H19FN4O3/c1-10-7-13(22(3)20-10)19-17(24)16-15(21(2)14(23)9-25-16)11-5-4-6-12(18)8-11/h4-8,15-16H,9H2,1-3H3,(H,19,24)
InChIKeyKZKYYAJGZSJKER-UHFFFAOYSA-N
XLogP1.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738065
(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95737990
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
CID 97457559
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 71689485) is N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is Cc1cc(NC(=O)C2OCC(=O)N(C)C2c2cccc(F)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is KZKYYAJGZSJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-10-7-13(22(3)20-10)19-17(24)16-15(21(2)14(23)9-25-16)11-5-4-6-12(18)8-11/h4-8,15-16H,9H2,1-3H3,(H,19,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 71689485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).