4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine

C20H29N3O — CID 56877602

IUPAC4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine
SMILESCC(C)(C)c1cc(CN2CCOC(CCc3ccccc3)C2)[nH]n1
InChIInChI=1S/C20H29N3O/c1-20(2,3)19-13-17(21-22-19)14-23-11-12-24-18(15-23)10-9-16-7-5-4-6-8-16/h4-8,13,18H,9-12,14-15H2,1-3H3,(H,21,22)
InChIKeyMVFFKYOLVNYAPO-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.54
Rot. Bonds5

About 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine

4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine (PubChem CID 56877602) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine
PubChem CID56877602
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine
SMILESCC(C)(C)c1cc(CN2CCOC(CCc3ccccc3)C2)[nH]n1
InChIInChI=1S/C20H29N3O/c1-20(2,3)19-13-17(21-22-19)14-23-11-12-24-18(15-23)10-9-16-7-5-4-6-8-16/h4-8,13,18H,9-12,14-15H2,1-3H3,(H,21,22)
InChIKeyMVFFKYOLVNYAPO-UHFFFAOYSA-N
XLogP3.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine
CID 95557695
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
CID 75504911
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
CID 120902311
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
CID 102550641
3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 110113863
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
CID 45245084

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine (CID 56877602) is 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine is CC(C)(C)c1cc(CN2CCOC(CCc3ccccc3)C2)[nH]n1.
What is the InChIKey of 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine?
The InChIKey is MVFFKYOLVNYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-20(2,3)19-13-17(21-22-19)14-23-11-12-24-18(15-23)10-9-16-7-5-4-6-8-16/h4-8,13,18H,9-12,14-15H2,1-3H3,(H,21,22).
What are the key properties of 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine?
4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine has a molecular weight of 327.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 56877602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).