2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one

C21H28N8O2 — CID 126916107

IUPAC2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(C)(C)c1cc(C(=O)N2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)n[nH]1
InChIInChI=1S/C21H28N8O2/c1-21(2,3)17-15-16(23-24-17)20(31)27-12-9-26(10-13-27)11-14-29-19(30)6-5-18(25-29)28-8-4-7-22-28/h4-8,15H,9-14H2,1-3H3,(H,23,24)
InChIKeyCOPKRSFUTSTQTJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP0.91
Rot. Bonds5

About 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one

2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126916107) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126916107
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(C)(C)c1cc(C(=O)N2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)n[nH]1
InChIInChI=1S/C21H28N8O2/c1-21(2,3)17-15-16(23-24-17)20(31)27-12-9-26(10-13-27)11-14-29-19(30)6-5-18(25-29)28-8-4-7-22-28/h4-8,15H,9-14H2,1-3H3,(H,23,24)
InChIKeyCOPKRSFUTSTQTJ-UHFFFAOYSA-N
XLogP0.91
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-pyrazol-1-yl-2-[2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916286
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916069
2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916214
2-[2-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916097
2-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916186
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
6-tert-butyl-2-[2-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913973
2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916157
2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916152
4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86994233

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126916107) is 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one is CC(C)(C)c1cc(C(=O)N2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)n[nH]1.
What is the InChIKey of 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is COPKRSFUTSTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-21(2,3)17-15-16(23-24-17)20(31)27-12-9-26(10-13-27)11-14-29-19(30)6-5-18(25-29)28-8-4-7-22-28/h4-8,15H,9-14H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 424.51 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126916107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).