4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole

C11H10ClFN2O — CID 82704701

IUPAC4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
SMILESCn1cc(COc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C11H10ClFN2O/c1-15-6-8(5-14-15)7-16-9-2-3-10(12)11(13)4-9/h2-6H,7H2,1H3
InChIKeyBGKYOALCUPOWSD-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.79
Rot. Bonds3

About 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole

4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole (PubChem CID 82704701) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
PubChem CID82704701
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
SMILESCn1cc(COc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C11H10ClFN2O/c1-15-6-8(5-14-15)7-16-9-2-3-10(12)11(13)4-9/h2-6H,7H2,1H3
InChIKeyBGKYOALCUPOWSD-UHFFFAOYSA-N
XLogP2.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113232754
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole (CID 82704701) is 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole is Cn1cc(COc2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole?
The InChIKey is BGKYOALCUPOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-6-8(5-14-15)7-16-9-2-3-10(12)11(13)4-9/h2-6H,7H2,1H3.
What are the key properties of 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole?
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole has a molecular weight of 240.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 82704701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).