2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one

C9H13N3O3 — CID 118690658

IUPAC2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(=O)N1CCOCC1
InChIInChI=1S/C9H13N3O3/c1-11-7(6-8(13)10-11)9(14)12-2-4-15-5-3-12/h6H,2-5H2,1H3,(H,10,13)
InChIKeyDZDOWURHKIABTK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.81
Rot. Bonds1

About 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one

2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one (PubChem CID 118690658) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
PubChem CID118690658
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(=O)N1CCOCC1
InChIInChI=1S/C9H13N3O3/c1-11-7(6-8(13)10-11)9(14)12-2-4-15-5-3-12/h6H,2-5H2,1H3,(H,10,13)
InChIKeyDZDOWURHKIABTK-UHFFFAOYSA-N
XLogP-0.81
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrrole-2,5-dione, 1-methyl-3-(4-morpholinyl)-
CID 5302612
5-[(2R)-2-tert-butylmorpholine-4-carbonyl]-2-methyl-1H-pyrazol-3-one
CID 125536541
3-(Morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
CID 139223929
5-[2-(Trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 56874978
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
5-Hydroxy-1-[2-(4-morpholinyl)ethyl]-1h-pyrazole-3-carboxylic acid ethyl ester
CID 20604555
(Z)-3-morpholin-4-ylbut-2-enehydrazide
CID 22071979
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
3-Morpholin-4-ylbut-2-enehydrazide
CID 54328018
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
5-Methyl-4-morpholin-4-yl-1,2-dihydropyrazol-3-one
CID 89850892
1,2-Dihydro-4-(4-morpholinyl)-3,6-pyridazinedione
CID 154141975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one (CID 118690658) is 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one?
The InChIKey is DZDOWURHKIABTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-7(6-8(13)10-11)9(14)12-2-4-15-5-3-12/h6H,2-5H2,1H3,(H,10,13).
What are the key properties of 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one?
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one has a molecular weight of 211.22 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one is sourced from PubChem (CID 118690658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).