[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol

C13H22ClN3O2 — CID 102935872

IUPAC[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCCc1nn(C)c(CN2CC(C)OC(CO)C2)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-4-11-13(14)12(16(3)15-11)7-17-5-9(2)19-10(6-17)8-18/h9-10,18H,4-8H2,1-3H3
InChIKeyFHFFNCTWRYUTIG-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.22
Rot. Bonds4

About [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol

[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935872) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935872
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCCc1nn(C)c(CN2CC(C)OC(CO)C2)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-4-11-13(14)12(16(3)15-11)7-17-5-9(2)19-10(6-17)8-18/h9-10,18H,4-8H2,1-3H3
InChIKeyFHFFNCTWRYUTIG-UHFFFAOYSA-N
XLogP1.22
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholine
CID 102936921
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
CID 66197341
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
CID 107225981
4-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80680393
3-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80679511
[6-methyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 102935937
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81115995
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 80690615
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol (CID 102935872) is [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol is CCc1nn(C)c(CN2CC(C)OC(CO)C2)c1Cl.
What is the InChIKey of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is FHFFNCTWRYUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-4-11-13(14)12(16(3)15-11)7-17-5-9(2)19-10(6-17)8-18/h9-10,18H,4-8H2,1-3H3.
What are the key properties of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol?
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 287.79 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).