1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one

C22H33N3O2 — CID 28732080

IUPAC1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN2CCO[C@H](CCCC(C)C)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H33N3O2/c1-17(2)9-8-12-20-15-24(13-14-27-20)16-21-18(3)23(4)25(22(21)26)19-10-6-5-7-11-19/h5-7,10-11,17,20H,8-9,12-16H2,1-4H3/t20-/m1/s1
InChIKeyQLGYFMUSOLKDPP-HXUWFJFHSA-N
MW371.53 g/mol
LogP3.51
Rot. Bonds7

About 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one (PubChem CID 28732080) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
PubChem CID28732080
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN2CCO[C@H](CCCC(C)C)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H33N3O2/c1-17(2)9-8-12-20-15-24(13-14-27-20)16-21-18(3)23(4)25(22(21)26)19-10-6-5-7-11-19/h5-7,10-11,17,20H,8-9,12-16H2,1-4H3/t20-/m1/s1
InChIKeyQLGYFMUSOLKDPP-HXUWFJFHSA-N
XLogP3.51
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one with MolForge

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Related Compounds

2-[(3S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95709411
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 28872424
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
methyl 3-[(3R,4S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 133125196
(2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 42530239
4-[[(2R)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 25296262
4-[[(3R)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 98567991
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23962263
4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42311444
1,5-dimethyl-2-phenyl-4-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrazol-3-one
CID 99934368
9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56909506
4-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 95725370

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one (CID 28732080) is 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one is Cc1c(CN2CCO[C@H](CCCC(C)C)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one?
The InChIKey is QLGYFMUSOLKDPP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17(2)9-8-12-20-15-24(13-14-27-20)16-21-18(3)23(4)25(22(21)26)19-10-6-5-7-11-19/h5-7,10-11,17,20H,8-9,12-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one has a molecular weight of 371.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one is sourced from PubChem (CID 28732080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).