3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one

C14H19N5O2 — CID 110114754

IUPAC3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCn1nccc1CCC(=O)N1CCOCC1c1ccn[nH]1
InChIInChI=1S/C14H19N5O2/c1-18-11(4-7-16-18)2-3-14(20)19-8-9-21-10-13(19)12-5-6-15-17-12/h4-7,13H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyYHXVPUMYYYZQMR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.68
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one

3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 110114754) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID110114754
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCn1nccc1CCC(=O)N1CCOCC1c1ccn[nH]1
InChIInChI=1S/C14H19N5O2/c1-18-11(4-7-16-18)2-3-14(20)19-8-9-21-10-13(19)12-5-6-15-17-12/h4-7,13H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyYHXVPUMYYYZQMR-UHFFFAOYSA-N
XLogP0.68
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125001935
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006153
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114673
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
(4-ethylthiadiazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124943736
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one (CID 110114754) is 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one is Cn1nccc1CCC(=O)N1CCOCC1c1ccn[nH]1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is YHXVPUMYYYZQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-11(4-7-16-18)2-3-14(20)19-8-9-21-10-13(19)12-5-6-15-17-12/h4-7,13H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 289.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110114754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).