2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid

C10H15N3O4 — CID 18765276

IUPAC2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(CCN2CCOCC2)[nH]1
InChIInChI=1S/C10H15N3O4/c14-9-7-8(10(15)16)11-13(9)2-1-12-3-5-17-6-4-12/h7,11H,1-6H2,(H,15,16)
InChIKeyIAGQISPITZPJCY-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.79
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid

2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 18765276) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID18765276
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(CCN2CCOCC2)[nH]1
InChIInChI=1S/C10H15N3O4/c14-9-7-8(10(15)16)11-13(9)2-1-12-3-5-17-6-4-12/h7,11H,1-6H2,(H,15,16)
InChIKeyIAGQISPITZPJCY-UHFFFAOYSA-N
XLogP-0.79
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-1-[2-(4-morpholinyl)ethyl]-1h-pyrazole-3-carboxylic acid ethyl ester
CID 20604555
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
2-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 23346079
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 59148634
2-[(4-Morpholin-4-ylbut-2-enoylamino)-prop-2-enoylamino]prop-2-enoic acid
CID 153642271
2-(1-ethoxy-1-oxopropan-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 21520767
2-(2-ethoxy-2-oxoethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 21939705
2-(oxan-4-yl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 83885720

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid (CID 18765276) is 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(CCN2CCOCC2)[nH]1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is IAGQISPITZPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-9-7-8(10(15)16)11-13(9)2-1-12-3-5-17-6-4-12/h7,11H,1-6H2,(H,15,16).
What are the key properties of 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 18765276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).