4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine

C16H21N3O — CID 75438520

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
SMILESCCn1cc(CN2CCOC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H21N3O/c1-2-19-12-14(10-17-19)11-18-8-9-20-16(13-18)15-6-4-3-5-7-15/h3-7,10,12,16H,2,8-9,11,13H2,1H3
InChIKeyBFVSLPNVEGQTRP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds4

About 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine

4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine (PubChem CID 75438520) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
PubChem CID75438520
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
SMILESCCn1cc(CN2CCOC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H21N3O/c1-2-19-12-14(10-17-19)11-18-8-9-20-16(13-18)15-6-4-3-5-7-15/h3-7,10,12,16H,2,8-9,11,13H2,1H3
InChIKeyBFVSLPNVEGQTRP-UHFFFAOYSA-N
XLogP2.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
CID 79681565
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 124622469
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine (CID 75438520) is 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine is CCn1cc(CN2CCOC(c3ccccc3)C2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine?
The InChIKey is BFVSLPNVEGQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-12-14(10-17-19)11-18-8-9-20-16(13-18)15-6-4-3-5-7-15/h3-7,10,12,16H,2,8-9,11,13H2,1H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine?
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine has a molecular weight of 271.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 75438520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).