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

C17H24N6O2 — CID 126861737

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
SMILESCc1ccc(OCCN2CCN(C(=O)c3cc(C)nn3C)CC2)nn1
InChIInChI=1S/C17H24N6O2/c1-13-4-5-16(19-18-13)25-11-10-22-6-8-23(9-7-22)17(24)15-12-14(2)20-21(15)3/h4-5,12H,6-11H2,1-3H3
InChIKeyDIHJMMSBTUMAFG-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.66
Rot. Bonds5

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

(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone (PubChem CID 126861737) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
PubChem CID126861737
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
SMILESCc1ccc(OCCN2CCN(C(=O)c3cc(C)nn3C)CC2)nn1
InChIInChI=1S/C17H24N6O2/c1-13-4-5-16(19-18-13)25-11-10-22-6-8-23(9-7-22)17(24)15-12-14(2)20-21(15)3/h4-5,12H,6-11H2,1-3H3
InChIKeyDIHJMMSBTUMAFG-UHFFFAOYSA-N
XLogP0.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone (CID 126861737) is (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone is Cc1ccc(OCCN2CCN(C(=O)c3cc(C)nn3C)CC2)nn1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
The InChIKey is DIHJMMSBTUMAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-4-5-16(19-18-13)25-11-10-22-6-8-23(9-7-22)17(24)15-12-14(2)20-21(15)3/h4-5,12H,6-11H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126861737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).