3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

C15H19N5O3 — CID 39570435

IUPAC3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCC[C@H]1CN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CCO1
InChIInChI=1S/C15H19N5O3/c1-3-11-9-19(6-7-23-11)15(22)12-8-16-20(10(12)2)13-4-5-14(21)18-17-13/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyNVADXSMGQUMCBD-NSHDSACASA-N
MW317.35 g/mol
LogP0.52
Rot. Bonds3

About 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 39570435) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID39570435
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCC[C@H]1CN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CCO1
InChIInChI=1S/C15H19N5O3/c1-3-11-9-19(6-7-23-11)15(22)12-8-16-20(10(12)2)13-4-5-14(21)18-17-13/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyNVADXSMGQUMCBD-NSHDSACASA-N
XLogP0.52
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 24650028
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
CID 167926365
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 97066448
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
3-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 37314315
3-[4-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 139012104
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126442055
(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43070553
6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (CID 39570435) is 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is CC[C@H]1CN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CCO1.
What is the InChIKey of 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is NVADXSMGQUMCBD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-11-9-19(6-7-23-11)15(22)12-8-16-20(10(12)2)13-4-5-14(21)18-17-13/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 317.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 39570435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).