[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol

C16H20ClN3O2 — CID 97153620

IUPAC[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESC[C@H]1CO[C@@H](CO)CN1Cc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O2/c1-11-10-22-15(9-21)8-20(11)7-13-6-18-19-16(13)12-3-2-4-14(17)5-12/h2-6,11,15,21H,7-10H2,1H3,(H,18,19)/t11-,15+/m0/s1
InChIKeyNIBYLIHFMLXFNJ-XHDPSFHLSA-N
MW321.81 g/mol
LogP2.31
Rot. Bonds4

About [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol

[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 97153620) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID97153620
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESC[C@H]1CO[C@@H](CO)CN1Cc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O2/c1-11-10-22-15(9-21)8-20(11)7-13-6-18-19-16(13)12-3-2-4-14(17)5-12/h2-6,11,15,21H,7-10H2,1H3,(H,18,19)/t11-,15+/m0/s1
InChIKeyNIBYLIHFMLXFNJ-XHDPSFHLSA-N
XLogP2.31
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
CID 105498355
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79484478
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166396791
3-chloro-4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 102666322
4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
CID 81204463

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol (CID 97153620) is [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol is C[C@H]1CO[C@@H](CO)CN1Cc1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is NIBYLIHFMLXFNJ-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-10-22-15(9-21)8-20(11)7-13-6-18-19-16(13)12-3-2-4-14(17)5-12/h2-6,11,15,21H,7-10H2,1H3,(H,18,19)/t11-,15+/m0/s1.
What are the key properties of [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol?
[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 321.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 97153620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).