6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

C19H27N5O2 — CID 126862284

IUPAC6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCn1nccc1C(=O)N1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)16-5-6-17(25)24(21-16)13-14-8-11-23(12-9-14)18(26)15-7-10-20-22(15)4/h5-7,10,14H,8-9,11-13H2,1-4H3
InChIKeyLXXXOGSOBLVBEU-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.83
Rot. Bonds3

About 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862284) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862284
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCn1nccc1C(=O)N1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)16-5-6-17(25)24(21-16)13-14-8-11-23(12-9-14)18(26)15-7-10-20-22(15)4/h5-7,10,14H,8-9,11-13H2,1-4H3
InChIKeyLXXXOGSOBLVBEU-UHFFFAOYSA-N
XLogP1.83
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-2-[[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862257
6-tert-butyl-2-[2-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913973
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862268
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862247
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862236
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862544
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862284) is 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is Cn1nccc1C(=O)N1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1.
What is the InChIKey of 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is LXXXOGSOBLVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)16-5-6-17(25)24(21-16)13-14-8-11-23(12-9-14)18(26)15-7-10-20-22(15)4/h5-7,10,14H,8-9,11-13H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 357.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).