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

C25H30N4O2 — CID 40855767

IUPAC(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-19-23(20(2)29(26-19)22-12-8-5-9-13-22)18-27(3)24(21-10-6-4-7-11-21)25(30)28-14-16-31-17-15-28/h4-13,24H,14-18H2,1-3H3/t24-/m1/s1
InChIKeyIIOSDSPVDBAUDE-XMMPIXPASA-N
MW418.54 g/mol
LogP3.52
Rot. Bonds6

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

(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 40855767) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
PubChem CID40855767
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-19-23(20(2)29(26-19)22-12-8-5-9-13-22)18-27(3)24(21-10-6-4-7-11-21)25(30)28-14-16-31-17-15-28/h4-13,24H,14-18H2,1-3H3/t24-/m1/s1
InChIKeyIIOSDSPVDBAUDE-XMMPIXPASA-N
XLogP3.52
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 51922677
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
N-methyl-4-[[methyl-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9125046
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
1-[(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8993801
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
CID 8785626
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
(2S)-N-carbamoyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 8993657
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 42895204
(3S)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]oxolan-2-one
CID 95899466
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-prop-2-ynylpropanamide
CID 78842642
3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55363766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone (CID 40855767) is (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone is Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is IIOSDSPVDBAUDE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-23(20(2)29(26-19)22-12-8-5-9-13-22)18-27(3)24(21-10-6-4-7-11-21)25(30)28-14-16-31-17-15-28/h4-13,24H,14-18H2,1-3H3/t24-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 418.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 40855767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).