1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

C23H23FN4O2 — CID 46901909

IUPAC1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H23FN4O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-22(29)18-7-9-19(24)10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyKDGPFASOCRGLCV-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 46901909) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID46901909
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H23FN4O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-22(29)18-7-9-19(24)10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyKDGPFASOCRGLCV-UHFFFAOYSA-N
XLogP2.96
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 46901909) is 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KDGPFASOCRGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-22(29)18-7-9-19(24)10-8-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 406.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46901909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).