1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole

C14H16F2N2O — CID 147646194

IUPAC1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole
SMILESFC(F)(CCn1cccn1)COCc1ccccc1
InChIInChI=1S/C14H16F2N2O/c15-14(16,7-10-18-9-4-8-17-18)12-19-11-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2
InChIKeyGIPKARHVLYJDTK-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.13
Rot. Bonds7

About 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole

1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole (PubChem CID 147646194) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole.

Molecular Properties

Compound Name1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole
PubChem CID147646194
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole
SMILESFC(F)(CCn1cccn1)COCc1ccccc1
InChIInChI=1S/C14H16F2N2O/c15-14(16,7-10-18-9-4-8-17-18)12-19-11-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2
InChIKeyGIPKARHVLYJDTK-UHFFFAOYSA-N
XLogP3.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole?
The IUPAC name of 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole (CID 147646194) is 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole.
What is the SMILES notation for 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole?
The canonical SMILES for 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole is FC(F)(CCn1cccn1)COCc1ccccc1.
What is the InChIKey of 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole?
The InChIKey is GIPKARHVLYJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-14(16,7-10-18-9-4-8-17-18)12-19-11-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2.
What are the key properties of 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole?
1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole has a molecular weight of 266.29 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-phenylmethoxybutyl)pyrazole is sourced from PubChem (CID 147646194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).