5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one

C19H25N3O3 — CID 155911907

IUPAC5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C19H25N3O3/c1-12(2)16-10-22(11-17(25-16)14-7-5-4-6-8-14)18(23)9-15-13(3)20-21-19(15)24/h4-8,12,16-17H,9-11H2,1-3H3,(H2,20,21,24)/t16-,17+/m1/s1
InChIKeyJFFNDLVHXDETBT-SJORKVTESA-N
MW343.43 g/mol
LogP2.18
Rot. Bonds4

About 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one

5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one (PubChem CID 155911907) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one
PubChem CID155911907
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C19H25N3O3/c1-12(2)16-10-22(11-17(25-16)14-7-5-4-6-8-14)18(23)9-15-13(3)20-21-19(15)24/h4-8,12,16-17H,9-11H2,1-3H3,(H2,20,21,24)/t16-,17+/m1/s1
InChIKeyJFFNDLVHXDETBT-SJORKVTESA-N
XLogP2.18
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone
CID 155499715
2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
CID 154914015
3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
CID 154913614
4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 134706311
1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one
CID 155917454
2,4-dimethyl-5-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136903624
(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134712918
4-amino-2-methyl-5-[2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136790529
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134704293
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
4-[2-[(1R,2S,3R,4R)-4-hydroxy-1-(morpholin-4-ylmethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-oxoethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 162629983
(6-amino-3-pyridinyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134706582

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one (CID 155911907) is 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1CC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)C)C1.
What is the InChIKey of 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one?
The InChIKey is JFFNDLVHXDETBT-SJORKVTESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)16-10-22(11-17(25-16)14-7-5-4-6-8-14)18(23)9-15-13(3)20-21-19(15)24/h4-8,12,16-17H,9-11H2,1-3H3,(H2,20,21,24)/t16-,17+/m1/s1.
What are the key properties of 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one?
5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one has a molecular weight of 343.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 155911907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).