1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone

C11H17N3O2 — CID 126498014

IUPAC1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone
SMILESCCn1cc(C(C)=O)c(N2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-3-14-8-10(9(2)15)11(12-14)13-4-6-16-7-5-13/h8H,3-7H2,1-2H3
InChIKeyBOBUJXAQGMQHTO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.94
Rot. Bonds3

About 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone

1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone (PubChem CID 126498014) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone
PubChem CID126498014
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone
SMILESCCn1cc(C(C)=O)c(N2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-3-14-8-10(9(2)15)11(12-14)13-4-6-16-7-5-13/h8H,3-7H2,1-2H3
InChIKeyBOBUJXAQGMQHTO-UHFFFAOYSA-N
XLogP0.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-morpholin-4-yl-1-pyridin-2-ylpyrazol-4-yl)ethanone
CID 157391037
3-acetyl-1-ethylpyrazole-4-carboxylic acid
CID 82407978
1-(6-cyclopropyl-2-morpholin-4-yl-3-pyridinyl)ethanone
CID 126497930
1-ethyl-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 4772972
ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate
CID 137355677
3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
CID 35762496
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794
(1-ethyl-3-propan-2-ylpyrazol-4-yl)-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96513096
(1-ethyl-3-propan-2-ylpyrazol-4-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96513095
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 97026725
3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]-2-(oxan-4-yl)propanoic acid
CID 167844223
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone (CID 126498014) is 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone is CCn1cc(C(C)=O)c(N2CCOCC2)n1.
What is the InChIKey of 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone?
The InChIKey is BOBUJXAQGMQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14-8-10(9(2)15)11(12-14)13-4-6-16-7-5-13/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone?
1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-morpholin-4-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 126498014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).