(2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate

C17H12BrFN2O2 — CID 5299243

IUPAC(2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate
SMILESO=C(OCc1ccccc1F)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H12BrFN2O2/c18-14-9-20-21(10-14)15-7-5-12(6-8-15)17(22)23-11-13-3-1-2-4-16(13)19/h1-10H,11H2
InChIKeyFBQSBWZPQODIFB-UHFFFAOYSA-N
MW375.20 g/mol
LogP4.13
Rot. Bonds4

About (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate

(2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate (PubChem CID 5299243) has the molecular formula C17H12BrFN2O2 and a molecular weight of 375.20 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate
PubChem CID5299243
Molecular FormulaC17H12BrFN2O2
Molecular Weight375.20 g/mol
Exact Mass374.01
IUPAC Name(2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate
SMILESO=C(OCc1ccccc1F)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H12BrFN2O2/c18-14-9-20-21(10-14)15-7-5-12(6-8-15)17(22)23-11-13-3-1-2-4-16(13)19/h1-10H,11H2
InChIKeyFBQSBWZPQODIFB-UHFFFAOYSA-N
XLogP4.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate (CID 5299243) is (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate is O=C(OCc1ccccc1F)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate?
The InChIKey is FBQSBWZPQODIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2/c18-14-9-20-21(10-14)15-7-5-12(6-8-15)17(22)23-11-13-3-1-2-4-16(13)19/h1-10H,11H2.
What are the key properties of (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate?
(2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate has a molecular weight of 375.20 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-(4-bromopyrazol-1-yl)benzoate is sourced from PubChem (CID 5299243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).