4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole

C16H13FN2O — CID 117229378

IUPAC4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole
SMILESCc1cccc(-n2cc(Oc3cccc(F)c3)cn2)c1
InChIInChI=1S/C16H13FN2O/c1-12-4-2-6-14(8-12)19-11-16(10-18-19)20-15-7-3-5-13(17)9-15/h2-11H,1H3
InChIKeyXHIXATFVBBXNEZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.11
Rot. Bonds3

About 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole

4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole (PubChem CID 117229378) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole
PubChem CID117229378
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole
SMILESCc1cccc(-n2cc(Oc3cccc(F)c3)cn2)c1
InChIInChI=1S/C16H13FN2O/c1-12-4-2-6-14(8-12)19-11-16(10-18-19)20-15-7-3-5-13(17)9-15/h2-11H,1H3
InChIKeyXHIXATFVBBXNEZ-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229390
4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229517
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole
CID 117229343
[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230392
N-methyl-3-[1-(3-methylphenyl)pyrazol-4-yl]oxypropan-1-amine
CID 117230384
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
1-cyclopentyl-4-(3-fluorophenoxy)pyrazole
CID 117229427
4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole
CID 117229414
3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
CID 117229418

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole?
The IUPAC name of 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole (CID 117229378) is 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole?
The canonical SMILES for 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole is Cc1cccc(-n2cc(Oc3cccc(F)c3)cn2)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole?
The InChIKey is XHIXATFVBBXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-12-4-2-6-14(8-12)19-11-16(10-18-19)20-15-7-3-5-13(17)9-15/h2-11H,1H3.
What are the key properties of 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole?
4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole has a molecular weight of 268.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole is sourced from PubChem (CID 117229378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).