1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride

C22H30ClFN6O2 — CID 45284437

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCN(c2ccccc2F)CC1.Cl
InChIInChI=1S/C22H29FN6O2.ClH/c1-17-15-19(22(31)28-9-7-25(2)8-10-28)24-29(17)16-21(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)23;/h3-6,15H,7-14,16H2,1-2H3;1H
InChIKeyPRIHUXOJYLJLNM-UHFFFAOYSA-N
MW464.97 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride (PubChem CID 45284437) has the molecular formula C22H30ClFN6O2 and a molecular weight of 464.97 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
PubChem CID45284437
Molecular FormulaC22H30ClFN6O2
Molecular Weight464.97 g/mol
Exact Mass464.21
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCN(c2ccccc2F)CC1.Cl
InChIInChI=1S/C22H29FN6O2.ClH/c1-17-15-19(22(31)28-9-7-25(2)8-10-28)24-29(17)16-21(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)23;/h3-6,15H,7-14,16H2,1-2H3;1H
InChIKeyPRIHUXOJYLJLNM-UHFFFAOYSA-N
XLogP1.49
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.97
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 40681998
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285782
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride (CID 45284437) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride is Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCN(c2ccccc2F)CC1.Cl.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride?
The InChIKey is PRIHUXOJYLJLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6O2.ClH/c1-17-15-19(22(31)28-9-7-25(2)8-10-28)24-29(17)16-21(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)23;/h3-6,15H,7-14,16H2,1-2H3;1H.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride has a molecular weight of 464.97 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 45284437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).