1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one

C12H17N3O2 — CID 126841376

IUPAC1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC(c2cnn(CC)c2)C1
InChIInChI=1S/C12H17N3O2/c1-3-12(16)14-5-6-17-11(9-14)10-7-13-15(4-2)8-10/h3,7-8,11H,1,4-6,9H2,2H3
InChIKeyRKHNBGJRHSJJJM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.99
Rot. Bonds3

About 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one

1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 126841376) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
PubChem CID126841376
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC(c2cnn(CC)c2)C1
InChIInChI=1S/C12H17N3O2/c1-3-12(16)14-5-6-17-11(9-14)10-7-13-15(4-2)8-10/h3,7-8,11H,1,4-6,9H2,2H3
InChIKeyRKHNBGJRHSJJJM-UHFFFAOYSA-N
XLogP0.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 99827534
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 99827535
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 99833787
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
CID 99826282
(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624168
2-(1-ethylpyrazol-4-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]morpholine-4-carboxamide
CID 119048710
4-(2-bromophenoxy)-1-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 99795489
N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 86819632
1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843
1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone
CID 125138569
1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 172888077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one (CID 126841376) is 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC(c2cnn(CC)c2)C1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is RKHNBGJRHSJJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-12(16)14-5-6-17-11(9-14)10-7-13-15(4-2)8-10/h3,7-8,11H,1,4-6,9H2,2H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one?
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 235.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 126841376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).