[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone

C17H23N5O3 — CID 167835245

IUPAC[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone
SMILESCn1cc(C2COCCN2C(=O)c2ccnn2C2CCOCC2)cn1
InChIInChI=1S/C17H23N5O3/c1-20-11-13(10-19-20)16-12-25-9-6-21(16)17(23)15-2-5-18-22(15)14-3-7-24-8-4-14/h2,5,10-11,14,16H,3-4,6-9,12H2,1H3
InChIKeyHGKCFXJFLWLNOM-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.18
Rot. Bonds3

About [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone

[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone (PubChem CID 167835245) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone
PubChem CID167835245
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone
SMILESCn1cc(C2COCCN2C(=O)c2ccnn2C2CCOCC2)cn1
InChIInChI=1S/C17H23N5O3/c1-20-11-13(10-19-20)16-12-25-9-6-21(16)17(23)15-2-5-18-22(15)14-3-7-24-8-4-14/h2,5,10-11,14,16H,3-4,6-9,12H2,1H3
InChIKeyHGKCFXJFLWLNOM-UHFFFAOYSA-N
XLogP1.18
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone with MolForge

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Related Compounds

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95977725
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201
5-(1-methylpyrazol-4-yl)-1-(oxan-4-yl)triazole-4-carboxylic acid
CID 103115225
[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
CID 136557448
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 86773566
(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97486526
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132598

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone (CID 167835245) is [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone is Cn1cc(C2COCCN2C(=O)c2ccnn2C2CCOCC2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone?
The InChIKey is HGKCFXJFLWLNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-20-11-13(10-19-20)16-12-25-9-6-21(16)17(23)15-2-5-18-22(15)14-3-7-24-8-4-14/h2,5,10-11,14,16H,3-4,6-9,12H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone?
[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 167835245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).