[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C17H19N7O2 — CID 122339198

IUPAC[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccno4)CC3)nn2)n1
InChIInChI=1S/C17H19N7O2/c1-12-11-13(2)24(21-12)16-4-3-15(19-20-16)22-7-9-23(10-8-22)17(25)14-5-6-18-26-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFNJXKNKYJKHHOJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.23
Rot. Bonds3

About [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 122339198) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID122339198
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccno4)CC3)nn2)n1
InChIInChI=1S/C17H19N7O2/c1-12-11-13(2)24(21-12)16-4-3-15(19-20-16)22-7-9-23(10-8-22)17(25)14-5-6-18-26-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFNJXKNKYJKHHOJ-UHFFFAOYSA-N
XLogP1.23
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 122339190
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122339253
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 56699956
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122339313
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122339279
[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122344738
2-(1,3-benzodioxol-5-yl)-1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122339269
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 47001565

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 122339198) is [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccno4)CC3)nn2)n1.
What is the InChIKey of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is FNJXKNKYJKHHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-12-11-13(2)24(21-12)16-4-3-15(19-20-16)22-7-9-23(10-8-22)17(25)14-5-6-18-26-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 353.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 122339198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).