[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C26H23F3N4O2 — CID 1053843

IUPAC[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1cccc(-n2nc(-c3ccco3)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C26H23F3N4O2/c1-18-5-2-8-21(15-18)33-23(17-22(30-33)24-9-4-14-35-24)25(34)32-12-10-31(11-13-32)20-7-3-6-19(16-20)26(27,28)29/h2-9,14-17H,10-13H2,1H3
InChIKeyIAHWSXNKYLGSHC-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.42
Rot. Bonds4

About [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 1053843) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID1053843
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1cccc(-n2nc(-c3ccco3)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C26H23F3N4O2/c1-18-5-2-8-21(15-18)33-23(17-22(30-33)24-9-4-14-35-24)25(34)32-12-10-31(11-13-32)20-7-3-6-19(16-20)26(27,28)29/h2-9,14-17H,10-13H2,1H3
InChIKeyIAHWSXNKYLGSHC-UHFFFAOYSA-N
XLogP5.42
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 1053843) is [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1cccc(-n2nc(-c3ccco3)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is IAHWSXNKYLGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-18-5-2-8-21(15-18)33-23(17-22(30-33)24-9-4-14-35-24)25(34)32-12-10-31(11-13-32)20-7-3-6-19(16-20)26(27,28)29/h2-9,14-17H,10-13H2,1H3.
What are the key properties of [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 480.49 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1053843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).