1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone

C23H24FN5O2 — CID 67092301

IUPAC1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN5O2/c1-17(30)27-10-12-28(13-11-27)23(31)16-29-21(14-18-2-4-20(24)5-3-18)15-22(26-29)19-6-8-25-9-7-19/h2-9,15H,10-14,16H2,1H3
InChIKeyRJMLMOPRPSDTEC-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.37
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone (PubChem CID 67092301) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone
PubChem CID67092301
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN5O2/c1-17(30)27-10-12-28(13-11-27)23(31)16-29-21(14-18-2-4-20(24)5-3-18)15-22(26-29)19-6-8-25-9-7-19/h2-9,15H,10-14,16H2,1H3
InChIKeyRJMLMOPRPSDTEC-UHFFFAOYSA-N
XLogP2.37
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone (CID 67092301) is 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone is CC(=O)N1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone?
The InChIKey is RJMLMOPRPSDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-17(30)27-10-12-28(13-11-27)23(31)16-29-21(14-18-2-4-20(24)5-3-18)15-22(26-29)19-6-8-25-9-7-19/h2-9,15H,10-14,16H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone has a molecular weight of 421.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone is sourced from PubChem (CID 67092301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).