2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one

C13H20N2O2 — CID 116805587

IUPAC2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one
SMILESCCn1cc(OC2CC(=O)C2(CC)CC)cn1
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2)11(16)7-12(13)17-10-8-14-15(6-3)9-10/h8-9,12H,4-7H2,1-3H3
InChIKeyKNRIXRMOVZBBPB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds5

About 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one

2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one (PubChem CID 116805587) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one
PubChem CID116805587
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one
SMILESCCn1cc(OC2CC(=O)C2(CC)CC)cn1
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2)11(16)7-12(13)17-10-8-14-15(6-3)9-10/h8-9,12H,4-7H2,1-3H3
InChIKeyKNRIXRMOVZBBPB-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939864
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one
CID 81415447
4-methoxy-1-(oxiran-2-ylmethyl)pyrazole
CID 130511286
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine
CID 107943876
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one
CID 116794278
2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277930
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
CID 114608497
ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
CID 116800069
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one (CID 116805587) is 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one is CCn1cc(OC2CC(=O)C2(CC)CC)cn1.
What is the InChIKey of 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one?
The InChIKey is KNRIXRMOVZBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(5-2)11(16)7-12(13)17-10-8-14-15(6-3)9-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one?
2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one is sourced from PubChem (CID 116805587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).