[4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C20H19FN4O — CID 17449200

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-5-9-19(16)24-10-12-25(13-11-24)20(26)18-14-17(22-23-18)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23)
InChIKeyUPAFYDBDCYMSEA-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.18
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 17449200) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID17449200
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-5-9-19(16)24-10-12-25(13-11-24)20(26)18-14-17(22-23-18)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23)
InChIKeyUPAFYDBDCYMSEA-UHFFFAOYSA-N
XLogP3.18
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 17449200) is [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is UPAFYDBDCYMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-4-5-9-19(16)24-10-12-25(13-11-24)20(26)18-14-17(22-23-18)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 17449200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).