3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

C20H22N6O2 — CID 24650028

IUPAC3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C20H22N6O2/c1-15-17(13-21-26(15)18-7-8-19(27)23-22-18)20(28)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,27)
InChIKeyRFLCAJQKPWNCKX-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.22
Rot. Bonds4

About 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 24650028) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID24650028
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C20H22N6O2/c1-15-17(13-21-26(15)18-7-8-19(27)23-22-18)20(28)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,27)
InChIKeyRFLCAJQKPWNCKX-UHFFFAOYSA-N
XLogP1.22
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
CID 167926365
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134035746
3-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 37314315
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 39570435
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 37209594
N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39677202
(4-benzyl-1,4-diazepan-1-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30767567
3-[4-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 139012104
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (CID 24650028) is 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is RFLCAJQKPWNCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-17(13-21-26(15)18-7-8-19(27)23-22-18)20(28)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,27).
What are the key properties of 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 378.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 24650028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).