[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol

C19H27N3O3 — CID 171763268

IUPAC[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol
SMILES[2H]C([2H])([2H])n1cc(C(O)c2ccccc2OCCN2CCOCC2)c(CC)n1
InChIInChI=1S/C19H27N3O3/c1-3-17-16(14-21(2)20-17)19(23)15-6-4-5-7-18(15)25-13-10-22-8-11-24-12-9-22/h4-7,14,19,23H,3,8-13H2,1-2H3/i2D3
InChIKeyNQSFMBSLCHJPGW-BMSJAHLVSA-N
MW348.46 g/mol
LogP1.78
Rot. Bonds8

About [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol

[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol (PubChem CID 171763268) has the molecular formula C19H27N3O3 and a molecular weight of 348.46 g/mol. Its IUPAC name is [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol
PubChem CID171763268
Molecular FormulaC19H27N3O3
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol
SMILES[2H]C([2H])([2H])n1cc(C(O)c2ccccc2OCCN2CCOCC2)c(CC)n1
InChIInChI=1S/C19H27N3O3/c1-3-17-16(14-21(2)20-17)19(23)15-6-4-5-7-18(15)25-13-10-22-8-11-24-12-9-22/h4-7,14,19,23H,3,8-13H2,1-2H3/i2D3
InChIKeyNQSFMBSLCHJPGW-BMSJAHLVSA-N
XLogP1.78
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 171763291
4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine
CID 171763242
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
4-[2-(5-phenyl-2-propan-2-ylphenoxy)ethyl]morpholine
CID 146386321
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol?
The IUPAC name of [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol (CID 171763268) is [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol.
What is the SMILES notation for [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol?
The canonical SMILES for [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol is [2H]C([2H])([2H])n1cc(C(O)c2ccccc2OCCN2CCOCC2)c(CC)n1.
What is the InChIKey of [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol?
The InChIKey is NQSFMBSLCHJPGW-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-17-16(14-21(2)20-17)19(23)15-6-4-5-7-18(15)25-13-10-22-8-11-24-12-9-22/h4-7,14,19,23H,3,8-13H2,1-2H3/i2D3.
What are the key properties of [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol?
[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol has a molecular weight of 348.46 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanol is sourced from PubChem (CID 171763268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).