2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one

C19H23ClN4O2 — CID 53081890

IUPAC2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)CC(=O)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14(2)13-19(26)23-11-9-22(10-12-23)17-7-8-18(25)24(21-17)16-5-3-15(20)4-6-16/h3-8,14H,9-13H2,1-2H3
InChIKeyCNNHIHBMGXIDKU-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one

2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 53081890) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
PubChem CID53081890
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)CC(=O)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14(2)13-19(26)23-11-9-22(10-12-23)17-7-8-18(25)24(21-17)16-5-3-15(20)4-6-16/h3-8,14H,9-13H2,1-2H3
InChIKeyCNNHIHBMGXIDKU-UHFFFAOYSA-N
XLogP2.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081997
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
2-(4-chlorophenyl)-6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridazin-3-one
CID 53081894
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850042
2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 53081900
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one
CID 53081791
N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832217
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one (CID 53081890) is 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one is CC(C)CC(=O)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is CNNHIHBMGXIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14(2)13-19(26)23-11-9-22(10-12-23)17-7-8-18(25)24(21-17)16-5-3-15(20)4-6-16/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one?
2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 374.87 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53081890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).