3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride

C19H20ClFN6O2 — CID 120736309

IUPAC3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride
SMILESCc1c(C(=O)N2CCNCC2c2cccc(F)c2)cnn1-c1ccc(=O)[nH]n1.Cl
InChIInChI=1S/C19H19FN6O2.ClH/c1-12-15(10-22-26(12)17-5-6-18(27)24-23-17)19(28)25-8-7-21-11-16(25)13-3-2-4-14(20)9-13;/h2-6,9-10,16,21H,7-8,11H2,1H3,(H,24,27);1H
InChIKeyRXBUQODHABZBNE-UHFFFAOYSA-N
MW418.86 g/mol
LogP1.61
Rot. Bonds3

About 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride

3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride (PubChem CID 120736309) has the molecular formula C19H20ClFN6O2 and a molecular weight of 418.86 g/mol. Its IUPAC name is 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride
PubChem CID120736309
Molecular FormulaC19H20ClFN6O2
Molecular Weight418.86 g/mol
Exact Mass418.13
IUPAC Name3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride
SMILESCc1c(C(=O)N2CCNCC2c2cccc(F)c2)cnn1-c1ccc(=O)[nH]n1.Cl
InChIInChI=1S/C19H19FN6O2.ClH/c1-12-15(10-22-26(12)17-5-6-18(27)24-23-17)19(28)25-8-7-21-11-16(25)13-3-2-4-14(20)9-13;/h2-6,9-10,16,21H,7-8,11H2,1H3,(H,24,27);1H
InChIKeyRXBUQODHABZBNE-UHFFFAOYSA-N
XLogP1.61
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride with MolForge

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Related Compounds

(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735677
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737148
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120736848

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride (CID 120736309) is 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride is Cc1c(C(=O)N2CCNCC2c2cccc(F)c2)cnn1-c1ccc(=O)[nH]n1.Cl.
What is the InChIKey of 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride?
The InChIKey is RXBUQODHABZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2.ClH/c1-12-15(10-22-26(12)17-5-6-18(27)24-23-17)19(28)25-8-7-21-11-16(25)13-3-2-4-14(20)9-13;/h2-6,9-10,16,21H,7-8,11H2,1H3,(H,24,27);1H.
What are the key properties of 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride?
3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride has a molecular weight of 418.86 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 120736309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).