1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole

C19H11F3N2O — CID 141097054

IUPAC1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole
SMILESFc1ccc(-c2c(F)cc(-n3nccc3-c3ccco3)cc2F)cc1
InChIInChI=1S/C19H11F3N2O/c20-13-5-3-12(4-6-13)19-15(21)10-14(11-16(19)22)24-17(7-8-23-24)18-2-1-9-25-18/h1-11H
InChIKeySMCLMPPAXSRVNL-UHFFFAOYSA-N
MW340.30 g/mol
LogP5.22
Rot. Bonds3

About 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole

1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole (PubChem CID 141097054) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole
PubChem CID141097054
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole
SMILESFc1ccc(-c2c(F)cc(-n3nccc3-c3ccco3)cc2F)cc1
InChIInChI=1S/C19H11F3N2O/c20-13-5-3-12(4-6-13)19-15(21)10-14(11-16(19)22)24-17(7-8-23-24)18-2-1-9-25-18/h1-11H
InChIKeySMCLMPPAXSRVNL-UHFFFAOYSA-N
XLogP5.22
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole?
The IUPAC name of 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole (CID 141097054) is 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole.
What is the SMILES notation for 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole?
The canonical SMILES for 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole is Fc1ccc(-c2c(F)cc(-n3nccc3-c3ccco3)cc2F)cc1.
What is the InChIKey of 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole?
The InChIKey is SMCLMPPAXSRVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O/c20-13-5-3-12(4-6-13)19-15(21)10-14(11-16(19)22)24-17(7-8-23-24)18-2-1-9-25-18/h1-11H.
What are the key properties of 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole?
1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole has a molecular weight of 340.30 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole is sourced from PubChem (CID 141097054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).