3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole

C16H18BrFN2O — CID 64801690

IUPAC3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
SMILESFc1ccc(OCc2ccn(C3CCCCC3)n2)c(Br)c1
InChIInChI=1S/C16H18BrFN2O/c17-15-10-12(18)6-7-16(15)21-11-13-8-9-20(19-13)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2
InChIKeyGOCJPCIXODUGHD-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.87
Rot. Bonds4

About 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole

3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole (PubChem CID 64801690) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
PubChem CID64801690
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
SMILESFc1ccc(OCc2ccn(C3CCCCC3)n2)c(Br)c1
InChIInChI=1S/C16H18BrFN2O/c17-15-10-12(18)6-7-16(15)21-11-13-8-9-20(19-13)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2
InChIKeyGOCJPCIXODUGHD-UHFFFAOYSA-N
XLogP4.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800020
3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
CID 167879327
5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80962290
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
CID 64779347
3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
CID 64784762
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80963175
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
3-bromo-5-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 103588284
3-bromo-5-chloro-2-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 64799239
3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64779344

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole?
The IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole (CID 64801690) is 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole?
The canonical SMILES for 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole is Fc1ccc(OCc2ccn(C3CCCCC3)n2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole?
The InChIKey is GOCJPCIXODUGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c17-15-10-12(18)6-7-16(15)21-11-13-8-9-20(19-13)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2.
What are the key properties of 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole?
3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole has a molecular weight of 353.24 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole is sourced from PubChem (CID 64801690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).