2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone

C14H22N4O2 — CID 56781773

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)n(C2CN(CC(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C14H22N4O2/c1-11-7-12(2)18(15-11)13-8-16(9-13)10-14(19)17-3-5-20-6-4-17/h7,13H,3-6,8-10H2,1-2H3
InChIKeySZVBOBAYZCRWLG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.22
Rot. Bonds3

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 56781773) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID56781773
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)n(C2CN(CC(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C14H22N4O2/c1-11-7-12(2)18(15-11)13-8-16(9-13)10-14(19)17-3-5-20-6-4-17/h7,13H,3-6,8-10H2,1-2H3
InChIKeySZVBOBAYZCRWLG-UHFFFAOYSA-N
XLogP0.22
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
4-[(1-Cyclohexyl-5-methylpyrazol-3-yl)methyl]morpholine
CID 155519936
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4769222
N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555283
1-(Azetidin-1-yl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 53555345
N-cyclohexyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555368
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 53556912
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 53557123
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 53591113
1-(4-Acetylpiperazin-1-yl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 53623706

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone (CID 56781773) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone is Cc1cc(C)n(C2CN(CC(=O)N3CCOCC3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is SZVBOBAYZCRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-7-12(2)18(15-11)13-8-16(9-13)10-14(19)17-3-5-20-6-4-17/h7,13H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 278.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56781773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).