4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid

C11H15N3O4 — CID 119216376

IUPAC4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCOCC2C(=O)O)n[nH]1
InChIInChI=1S/C11H15N3O4/c1-2-7-5-8(13-12-7)10(15)14-3-4-18-6-9(14)11(16)17/h5,9H,2-4,6H2,1H3,(H,12,13)(H,16,17)
InChIKeyOTFBRMOZMRNXQE-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.10
Rot. Bonds3

About 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid

4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 119216376) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID119216376
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCOCC2C(=O)O)n[nH]1
InChIInChI=1S/C11H15N3O4/c1-2-7-5-8(13-12-7)10(15)14-3-4-18-6-9(14)11(16)17/h5,9H,2-4,6H2,1H3,(H,12,13)(H,16,17)
InChIKeyOTFBRMOZMRNXQE-UHFFFAOYSA-N
XLogP-0.10
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid (CID 119216376) is 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid is CCc1cc(C(=O)N2CCOCC2C(=O)O)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is OTFBRMOZMRNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-7-5-8(13-12-7)10(15)14-3-4-18-6-9(14)11(16)17/h5,9H,2-4,6H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid?
4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).