(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

C20H26N4O3 — CID 134711395

IUPAC(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N(C)Cc2cnn(C)c2C)OCC(=O)N1C
InChIInChI=1S/C20H26N4O3/c1-13-8-6-7-9-16(13)18-19(27-12-17(25)23(18)4)20(26)22(3)11-15-10-21-24(5)14(15)2/h6-10,18-19H,11-12H2,1-5H3/t18-,19+/m1/s1
InChIKeyCCTFCLWGZYAFAR-MOPGFXCFSA-N
MW370.45 g/mol
LogP1.59
Rot. Bonds4

About (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134711395) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID134711395
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N(C)Cc2cnn(C)c2C)OCC(=O)N1C
InChIInChI=1S/C20H26N4O3/c1-13-8-6-7-9-16(13)18-19(27-12-17(25)23(18)4)20(26)22(3)11-15-10-21-24(5)14(15)2/h6-10,18-19H,11-12H2,1-5H3/t18-,19+/m1/s1
InChIKeyCCTFCLWGZYAFAR-MOPGFXCFSA-N
XLogP1.59
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 134711395) is (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)Cc2cnn(C)c2C)OCC(=O)N1C.
What is the InChIKey of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is CCTFCLWGZYAFAR-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-8-6-7-9-16(13)18-19(27-12-17(25)23(18)4)20(26)22(3)11-15-10-21-24(5)14(15)2/h6-10,18-19H,11-12H2,1-5H3/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134711395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).