(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone

C15H19N5O3 — CID 100639162

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C15H19N5O3/c1-19-10-12(14(18-19)22-2)15(21)20-8-4-5-11(9-20)23-13-6-3-7-16-17-13/h3,6-7,10-11H,4-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyPWRJEZGQNOJSOS-LLVKDONJSA-N
MW317.35 g/mol
LogP0.90
Rot. Bonds4

About (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone (PubChem CID 100639162) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
PubChem CID100639162
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C15H19N5O3/c1-19-10-12(14(18-19)22-2)15(21)20-8-4-5-11(9-20)23-13-6-3-7-16-17-13/h3,6-7,10-11H,4-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyPWRJEZGQNOJSOS-LLVKDONJSA-N
XLogP0.90
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone with MolForge

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Related Compounds

(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 91627644
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone (CID 100639162) is (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The InChIKey is PWRJEZGQNOJSOS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-19-10-12(14(18-19)22-2)15(21)20-8-4-5-11(9-20)23-13-6-3-7-16-17-13/h3,6-7,10-11H,4-5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone has a molecular weight of 317.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100639162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).