4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole

C14H16BrFN2O — CID 156891420

IUPAC4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole
SMILESCc1nn(CC(C)C)cc1Oc1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O/c1-9(2)7-18-8-14(10(3)17-18)19-13-6-11(16)4-5-12(13)15/h4-6,8-9H,7H2,1-3H3
InChIKeyJQCNQNYXUUXGGD-UHFFFAOYSA-N
MW327.20 g/mol
LogP4.54
Rot. Bonds4

About 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole

4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole (PubChem CID 156891420) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole
PubChem CID156891420
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole
SMILESCc1nn(CC(C)C)cc1Oc1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O/c1-9(2)7-18-8-14(10(3)17-18)19-13-6-11(16)4-5-12(13)15/h4-6,8-9H,7H2,1-3H3
InChIKeyJQCNQNYXUUXGGD-UHFFFAOYSA-N
XLogP4.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-methyl-1-(2-methylpropyl)pyrazole
CID 156891354
[3-methyl-1-(2-methylpropyl)pyrazol-4-yl] formate
CID 174490934
2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 110017859
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
4-(2-bromo-5-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83267100
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol
CID 114034713
2-[2-[4-fluoro-2-[[3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]phenyl]pyrimidin-5-yl]ethanamine
CID 167429636
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
4-(2-bromo-5-fluorophenoxy)pyrimidine-5-carbothioamide
CID 112755595
5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole?
The IUPAC name of 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole (CID 156891420) is 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole is Cc1nn(CC(C)C)cc1Oc1cc(F)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole?
The InChIKey is JQCNQNYXUUXGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-9(2)7-18-8-14(10(3)17-18)19-13-6-11(16)4-5-12(13)15/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole?
4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole has a molecular weight of 327.20 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorophenoxy)-3-methyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 156891420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).