2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C19H25FN4O — CID 71220819

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C19H25FN4O/c1-4-18-14(2)21-24(15(18)3)13-19(25)23-11-9-22(10-12-23)17-7-5-16(20)6-8-17/h5-8H,4,9-13H2,1-3H3
InChIKeyHKYHPIBKPUAYPU-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 71220819) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID71220819
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C19H25FN4O/c1-4-18-14(2)21-24(15(18)3)13-19(25)23-11-9-22(10-12-23)17-7-5-16(20)6-8-17/h5-8H,4,9-13H2,1-3H3
InChIKeyHKYHPIBKPUAYPU-UHFFFAOYSA-N
XLogP2.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 71220819) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is CCc1c(C)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is HKYHPIBKPUAYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-18-14(2)21-24(15(18)3)13-19(25)23-11-9-22(10-12-23)17-7-5-16(20)6-8-17/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 344.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71220819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).