2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone

C14H19N5O2 — CID 110114673

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCOCC1c1ccn[nH]1
InChIInChI=1S/C14H19N5O2/c1-9-11(10(2)17-16-9)7-14(20)19-5-6-21-8-13(19)12-3-4-15-18-12/h3-4,13H,5-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZHXQLXJVJAHKCE-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.89
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 110114673) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
PubChem CID110114673
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCOCC1c1ccn[nH]1
InChIInChI=1S/C14H19N5O2/c1-9-11(10(2)17-16-9)7-14(20)19-5-6-21-8-13(19)12-3-4-15-18-12/h3-4,13H,5-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZHXQLXJVJAHKCE-UHFFFAOYSA-N
XLogP0.89
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125001935
3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 110114754
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006153
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124981377
1H-indazol-3-yl-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124997703

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone (CID 110114673) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCOCC1c1ccn[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is ZHXQLXJVJAHKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-11(10(2)17-16-9)7-14(20)19-5-6-21-8-13(19)12-3-4-15-18-12/h3-4,13H,5-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 289.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110114673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).