3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine

C20H25N7 — CID 171327082

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(CCc4ccccn4)CC3)nn2)n1
InChIInChI=1S/C20H25N7/c1-16-15-17(2)27(24-16)20-7-6-19(22-23-20)26-13-11-25(12-14-26)10-8-18-5-3-4-9-21-18/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeyWWVXDVVFZBABDI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.04
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine (PubChem CID 171327082) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
PubChem CID171327082
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(CCc4ccccn4)CC3)nn2)n1
InChIInChI=1S/C20H25N7/c1-16-15-17(2)27(24-16)20-7-6-19(22-23-20)26-13-11-25(12-14-26)10-8-18-5-3-4-9-21-18/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeyWWVXDVVFZBABDI-UHFFFAOYSA-N
XLogP2.04
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171327083
3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine
CID 163346374
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 166601889
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]furo[3,2-c]pyridine
CID 165434054
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 171324110

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine (CID 171327082) is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(CCc4ccccn4)CC3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine?
The InChIKey is WWVXDVVFZBABDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-16-15-17(2)27(24-16)20-7-6-19(22-23-20)26-13-11-25(12-14-26)10-8-18-5-3-4-9-21-18/h3-7,9,15H,8,10-14H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine has a molecular weight of 363.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 171327082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).