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

C9H13N3O3 — CID 22118185

IUPAC2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(C(=O)N2CCOCC2)cc1=O
InChIInChI=1S/C9H13N3O3/c1-11-8(13)6-7(10-11)9(14)12-2-4-15-5-3-12/h6,10H,2-5H2,1H3
InChIKeyKBCSCXOPJDNQEQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.81
Rot. Bonds1

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

2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one (PubChem CID 22118185) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
PubChem CID22118185
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(C(=O)N2CCOCC2)cc1=O
InChIInChI=1S/C9H13N3O3/c1-11-8(13)6-7(10-11)9(14)12-2-4-15-5-3-12/h6,10H,2-5H2,1H3
InChIKeyKBCSCXOPJDNQEQ-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

5-(3-ethylsulfonylazetidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one
CID 138035892
6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid
CID 13216305
3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 22391000
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one
CID 110269469
5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 6501308
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one (CID 22118185) is 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one is Cn1[nH]c(C(=O)N2CCOCC2)cc1=O.
What is the InChIKey of 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one?
The InChIKey is KBCSCXOPJDNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-8(13)6-7(10-11)9(14)12-2-4-15-5-3-12/h6,10H,2-5H2,1H3.
What are the key properties of 2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one?
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-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-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one is sourced from PubChem (CID 22118185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).