4-[(2-bromophenyl)methoxy]-1-ethylpyrazole

C12H13BrN2O — CID 116804675

IUPAC4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
SMILESCCn1cc(OCc2ccccc2Br)cn1
InChIInChI=1S/C12H13BrN2O/c1-2-15-8-11(7-14-15)16-9-10-5-3-4-6-12(10)13/h3-8H,2,9H2,1H3
InChIKeyNDRNGEKCQNBDBH-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.24
Rot. Bonds4

About 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole

4-[(2-bromophenyl)methoxy]-1-ethylpyrazole (PubChem CID 116804675) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
PubChem CID116804675
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
SMILESCCn1cc(OCc2ccccc2Br)cn1
InChIInChI=1S/C12H13BrN2O/c1-2-15-8-11(7-14-15)16-9-10-5-3-4-6-12(10)13/h3-8H,2,9H2,1H3
InChIKeyNDRNGEKCQNBDBH-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole
CID 155907462
[3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102774129
3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 102765633
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
4-[(2-bromo-4-nitrophenyl)methoxy]-1-ethylpyrazole
CID 116804773
N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 116803262
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
CID 99801203
[3-chloro-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102663627
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
CID 116804551

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole (CID 116804675) is 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole is CCn1cc(OCc2ccccc2Br)cn1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole?
The InChIKey is NDRNGEKCQNBDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-2-15-8-11(7-14-15)16-9-10-5-3-4-6-12(10)13/h3-8H,2,9H2,1H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole?
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole has a molecular weight of 281.15 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-1-ethylpyrazole is sourced from PubChem (CID 116804675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).