5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole

C15H8F4N2O — CID 141163682

IUPAC5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole
SMILESFc1ccc(Oc2c(F)ccc(F)c2-c2ccn[nH]2)c(F)c1
InChIInChI=1S/C15H8F4N2O/c16-8-1-4-13(11(19)7-8)22-15-10(18)3-2-9(17)14(15)12-5-6-20-21-12/h1-7H,(H,20,21)
InChIKeyQYSHSRGVOKGTBP-UHFFFAOYSA-N
MW308.23 g/mol
LogP4.43
Rot. Bonds3

About 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole

5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole (PubChem CID 141163682) has the molecular formula C15H8F4N2O and a molecular weight of 308.23 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole
PubChem CID141163682
Molecular FormulaC15H8F4N2O
Molecular Weight308.23 g/mol
Exact Mass308.06
IUPAC Name5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole
SMILESFc1ccc(Oc2c(F)ccc(F)c2-c2ccn[nH]2)c(F)c1
InChIInChI=1S/C15H8F4N2O/c16-8-1-4-13(11(19)7-8)22-15-10(18)3-2-9(17)14(15)12-5-6-20-21-12/h1-7H,(H,20,21)
InChIKeyQYSHSRGVOKGTBP-UHFFFAOYSA-N
XLogP4.43
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-fluoro-2-methylphenyl)-1H-pyrazole
CID 89211129
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
2-(2-fluorophenoxy)-5-(1H-pyrazol-5-yl)pyridine
CID 174799535
5-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole;sulfane
CID 159681415
7-fluoro-4-(1H-pyrazol-5-yl)quinazolin-2-amine
CID 105486316
5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601
3-(2,4-difluorophenoxy)pyrazin-2-amine
CID 102987748
5-(2-chloro-6-fluorophenyl)-1H-pyrazole
CID 130570620
4-(2,4-difluorophenoxy)pyridin-3-amine
CID 28890071
4-bromo-3,5-difluoro-2-(1H-pyrazol-5-yl)aniline
CID 166039581
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole
CID 12043641

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole (CID 141163682) is 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole is Fc1ccc(Oc2c(F)ccc(F)c2-c2ccn[nH]2)c(F)c1.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole?
The InChIKey is QYSHSRGVOKGTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O/c16-8-1-4-13(11(19)7-8)22-15-10(18)3-2-9(17)14(15)12-5-6-20-21-12/h1-7H,(H,20,21).
What are the key properties of 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole?
5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole has a molecular weight of 308.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-3,6-difluorophenyl]-1H-pyrazole is sourced from PubChem (CID 141163682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).