[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone

C19H26N4O3 — CID 155504668

IUPAC[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H26N4O3/c1-13-9-15(24)5-6-16(13)19(25)23-7-8-26-17(12-21(2)3)18(23)14-10-20-22(4)11-14/h5-6,9-11,17-18,24H,7-8,12H2,1-4H3/t17-,18-/m0/s1
InChIKeyCFFQNTCMGYORRY-ROUUACIJSA-N
MW358.44 g/mol
LogP1.58
Rot. Bonds4

About [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 155504668) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID155504668
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H26N4O3/c1-13-9-15(24)5-6-16(13)19(25)23-7-8-26-17(12-21(2)3)18(23)14-10-20-22(4)11-14/h5-6,9-11,17-18,24H,7-8,12H2,1-4H3/t17-,18-/m0/s1
InChIKeyCFFQNTCMGYORRY-ROUUACIJSA-N
XLogP1.58
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 155504668) is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1.
What is the InChIKey of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is CFFQNTCMGYORRY-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-9-15(24)5-6-16(13)19(25)23-7-8-26-17(12-21(2)3)18(23)14-10-20-22(4)11-14/h5-6,9-11,17-18,24H,7-8,12H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 358.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 155504668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).