4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid

C12H17N3O4 — CID 102810153

IUPAC4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H17N3O4/c1-3-9-8(6-14(2)13-9)11(16)15-4-5-19-10(7-15)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyKLMOTDGOORGDHG-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.09
Rot. Bonds3

About 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid

4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 102810153) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID102810153
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H17N3O4/c1-3-9-8(6-14(2)13-9)11(16)15-4-5-19-10(7-15)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyKLMOTDGOORGDHG-UHFFFAOYSA-N
XLogP-0.09
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830
4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119357867
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811396
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811080
[3-(chloromethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811387
[3-(bromomethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811388
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid (CID 102810153) is 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid is CCc1nn(C)cc1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is KLMOTDGOORGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-9-8(6-14(2)13-9)11(16)15-4-5-19-10(7-15)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 102810153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).