3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine

C13H21N3O2 — CID 110132489

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
SMILESCc1cn[nH]c1C1COCCN1C1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-10-8-14-15-13(10)12-9-18-7-4-16(12)11-2-5-17-6-3-11/h8,11-12H,2-7,9H2,1H3,(H,14,15)
InChIKeyJLXVSDLDBMJCBO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds2

About 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine

3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine (PubChem CID 110132489) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
PubChem CID110132489
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
SMILESCc1cn[nH]c1C1COCCN1C1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-10-8-14-15-13(10)12-9-18-7-4-16(12)11-2-5-17-6-3-11/h8,11-12H,2-7,9H2,1H3,(H,14,15)
InChIKeyJLXVSDLDBMJCBO-UHFFFAOYSA-N
XLogP1.27
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine
CID 110095176
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95817091
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
(5-methylpyrazin-2-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972296
N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272260
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124963161
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 110132537
3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine
CID 110132456

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine (CID 110132489) is 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine is Cc1cn[nH]c1C1COCCN1C1CCOCC1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine?
The InChIKey is JLXVSDLDBMJCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-14-15-13(10)12-9-18-7-4-16(12)11-2-5-17-6-3-11/h8,11-12H,2-7,9H2,1H3,(H,14,15).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine?
3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine has a molecular weight of 251.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine is sourced from PubChem (CID 110132489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).