4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole

C13H8ClFN2O — CID 168526551

IUPAC4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole
SMILESFc1cc(-c2ccco2)ccc1-n1cc(Cl)cn1
InChIInChI=1S/C13H8ClFN2O/c14-10-7-16-17(8-10)12-4-3-9(6-11(12)15)13-2-1-5-18-13/h1-8H
InChIKeyHFEOLDGAWAPIJZ-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.92
Rot. Bonds2

About 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole

4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole (PubChem CID 168526551) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole
PubChem CID168526551
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole
SMILESFc1cc(-c2ccco2)ccc1-n1cc(Cl)cn1
InChIInChI=1S/C13H8ClFN2O/c14-10-7-16-17(8-10)12-4-3-9(6-11(12)15)13-2-1-5-18-13/h1-8H
InChIKeyHFEOLDGAWAPIJZ-UHFFFAOYSA-N
XLogP3.92
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168526099
1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527846
1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid
CID 168527856
[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methanol
CID 61035650
1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527335
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146132437
2-(3,5-dichlorophenyl)furan
CID 11557556
2-fluoro-4-(furan-2-yl)benzonitrile
CID 130938678
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
(1S)-1-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941315
2-(4-chloropyrazol-1-yl)-5-nitrobenzaldehyde
CID 54909354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole (CID 168526551) is 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole is Fc1cc(-c2ccco2)ccc1-n1cc(Cl)cn1.
What is the InChIKey of 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole?
The InChIKey is HFEOLDGAWAPIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-10-7-16-17(8-10)12-4-3-9(6-11(12)15)13-2-1-5-18-13/h1-8H.
What are the key properties of 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole?
4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole has a molecular weight of 262.67 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole is sourced from PubChem (CID 168526551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).