5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole

C11H10BrFN2 — CID 66657454

IUPAC5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
SMILESCn1nccc1Cc1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFN2/c1-15-10(4-5-14-15)6-8-2-3-9(12)7-11(8)13/h2-5,7H,6H2,1H3
InChIKeyHNZMJXJGUZEGCO-UHFFFAOYSA-N
MW269.12 g/mol
LogP2.91
Rot. Bonds2

About 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole

5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole (PubChem CID 66657454) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
PubChem CID66657454
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
SMILESCn1nccc1Cc1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFN2/c1-15-10(4-5-14-15)6-8-2-3-9(12)7-11(8)13/h2-5,7H,6H2,1H3
InChIKeyHNZMJXJGUZEGCO-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694333
2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694277
2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 171373540
3-methoxy-4-[(2-methylpyrazol-3-yl)methyl]aniline
CID 174825806
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556932
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole (CID 66657454) is 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole is Cn1nccc1Cc1ccc(Br)cc1F.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole?
The InChIKey is HNZMJXJGUZEGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c1-15-10(4-5-14-15)6-8-2-3-9(12)7-11(8)13/h2-5,7H,6H2,1H3.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole?
5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole has a molecular weight of 269.12 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole is sourced from PubChem (CID 66657454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).