[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone

C22H23FN4O2 — CID 2812819

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C)cc1
InChIInChI=1S/C22H23FN4O2/c1-16-21(15-24-27(16)19-7-9-20(29-2)10-8-19)22(28)26-13-11-25(12-14-26)18-5-3-17(23)4-6-18/h3-10,15H,11-14H2,1-2H3
InChIKeyZENMUPSXKFQZPF-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.29
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone (PubChem CID 2812819) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone
PubChem CID2812819
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C)cc1
InChIInChI=1S/C22H23FN4O2/c1-16-21(15-24-27(16)19-7-9-20(29-2)10-8-19)22(28)26-13-11-25(12-14-26)18-5-3-17(23)4-6-18/h3-10,15H,11-14H2,1-2H3
InChIKeyZENMUPSXKFQZPF-UHFFFAOYSA-N
XLogP3.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone (CID 2812819) is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone is COc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C)cc1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone?
The InChIKey is ZENMUPSXKFQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-16-21(15-24-27(16)19-7-9-20(29-2)10-8-19)22(28)26-13-11-25(12-14-26)18-5-3-17(23)4-6-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 2812819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).