5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole

C15H14BrFN4 — CID 175401147

IUPAC5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole
SMILESCCn1ncc(Cc2nccn2-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H14BrFN4/c1-2-21-15(16)11(10-19-21)9-14-18-7-8-20(14)13-5-3-12(17)4-6-13/h3-8,10H,2,9H2,1H3
InChIKeyQKGALWGNMNQCQT-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.58
Rot. Bonds4

About 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole

5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole (PubChem CID 175401147) has the molecular formula C15H14BrFN4 and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole
PubChem CID175401147
Molecular FormulaC15H14BrFN4
Molecular Weight349.21 g/mol
Exact Mass348.04
IUPAC Name5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole
SMILESCCn1ncc(Cc2nccn2-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H14BrFN4/c1-2-21-15(16)11(10-19-21)9-14-18-7-8-20(14)13-5-3-12(17)4-6-13/h3-8,10H,2,9H2,1H3
InChIKeyQKGALWGNMNQCQT-UHFFFAOYSA-N
XLogP3.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole?
The IUPAC name of 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole (CID 175401147) is 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole.
What is the SMILES notation for 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole?
The canonical SMILES for 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole is CCn1ncc(Cc2nccn2-c2ccc(F)cc2)c1Br.
What is the InChIKey of 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole?
The InChIKey is QKGALWGNMNQCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4/c1-2-21-15(16)11(10-19-21)9-14-18-7-8-20(14)13-5-3-12(17)4-6-13/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole?
5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole has a molecular weight of 349.21 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole is sourced from PubChem (CID 175401147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).