4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole

C12H12BrFN2 — CID 66437510

IUPAC4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
SMILESCCc1c(CBr)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H12BrFN2/c1-2-12-9(7-13)8-15-16(12)11-5-3-4-10(14)6-11/h3-6,8H,2,7H2,1H3
InChIKeyDCPIXTYQQUWDAQ-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.47
Rot. Bonds3

About 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole

4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole (PubChem CID 66437510) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
PubChem CID66437510
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
SMILESCCc1c(CBr)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H12BrFN2/c1-2-12-9(7-13)8-15-16(12)11-5-3-4-10(14)6-11/h3-6,8H,2,7H2,1H3
InChIKeyDCPIXTYQQUWDAQ-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82290116
4-(bromomethyl)-1-(4-bromophenyl)-5-ethylpyrazole
CID 66439260
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
4-(bromomethyl)-1-(3-chloro-4-methylphenyl)-5-ethylpyrazole
CID 66438579
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672
1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66440761
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
4-(bromomethyl)-1-(2,4-dimethylphenyl)-5-ethylpyrazole
CID 66437059

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole?
The IUPAC name of 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole (CID 66437510) is 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole?
The canonical SMILES for 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole is CCc1c(CBr)cnn1-c1cccc(F)c1.
What is the InChIKey of 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole?
The InChIKey is DCPIXTYQQUWDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-2-12-9(7-13)8-15-16(12)11-5-3-4-10(14)6-11/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole?
4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole has a molecular weight of 283.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole is sourced from PubChem (CID 66437510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).