[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

C24H26F2N4O — CID 6733270

IUPAC[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26F2N4O/c25-21-7-3-18(4-8-21)23(19-5-9-22(26)10-6-19)2-1-11-29-12-14-30(15-13-29)24(31)20-16-27-28-17-20/h3-10,16-17,23H,1-2,11-15H2,(H,27,28)
InChIKeyQPBXNVIMKVUEFF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.06
Rot. Bonds7

About [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 6733270) has the molecular formula C24H26F2N4O and a molecular weight of 424.50 g/mol. Its IUPAC name is [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID6733270
Molecular FormulaC24H26F2N4O
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26F2N4O/c25-21-7-3-18(4-8-21)23(19-5-9-22(26)10-6-19)2-1-11-29-12-14-30(15-13-29)24(31)20-16-27-28-17-20/h3-10,16-17,23H,1-2,11-15H2,(H,27,28)
InChIKeyQPBXNVIMKVUEFF-UHFFFAOYSA-N
XLogP4.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 6733270) is [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is QPBXNVIMKVUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O/c25-21-7-3-18(4-8-21)23(19-5-9-22(26)10-6-19)2-1-11-29-12-14-30(15-13-29)24(31)20-16-27-28-17-20/h3-10,16-17,23H,1-2,11-15H2,(H,27,28).
What are the key properties of [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 424.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 6733270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).