3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline

C16H22N4O — CID 79164411

IUPAC3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline
SMILESCCN1CCOC(Cn2cc(-c3cccc(N)c3)cn2)C1
InChIInChI=1S/C16H22N4O/c1-2-19-6-7-21-16(11-19)12-20-10-14(9-18-20)13-4-3-5-15(17)8-13/h3-5,8-10,16H,2,6-7,11-12,17H2,1H3
InChIKeyLISCTCJGZMKMCH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds4

About 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline

3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline (PubChem CID 79164411) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline.

Molecular Properties

Compound Name3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline
PubChem CID79164411
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline
SMILESCCN1CCOC(Cn2cc(-c3cccc(N)c3)cn2)C1
InChIInChI=1S/C16H22N4O/c1-2-19-6-7-21-16(11-19)12-20-10-14(9-18-20)13-4-3-5-15(17)8-13/h3-5,8-10,16H,2,6-7,11-12,17H2,1H3
InChIKeyLISCTCJGZMKMCH-UHFFFAOYSA-N
XLogP1.85
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 79183086
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
CID 95285743
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456230
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline?
The IUPAC name of 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline (CID 79164411) is 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline.
What is the SMILES notation for 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline?
The canonical SMILES for 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline is CCN1CCOC(Cn2cc(-c3cccc(N)c3)cn2)C1.
What is the InChIKey of 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline?
The InChIKey is LISCTCJGZMKMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-19-6-7-21-16(11-19)12-20-10-14(9-18-20)13-4-3-5-15(17)8-13/h3-5,8-10,16H,2,6-7,11-12,17H2,1H3.
What are the key properties of 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline?
3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline has a molecular weight of 286.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline is sourced from PubChem (CID 79164411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).