[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate

C11H9BrFN3O2 — CID 175558426

IUPAC[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate
SMILESCn1nccc1-c1ccc(Br)c(F)c1OC(N)=O
InChIInChI=1S/C11H9BrFN3O2/c1-16-8(4-5-15-16)6-2-3-7(12)9(13)10(6)18-11(14)17/h2-5H,1H3,(H2,14,17)
InChIKeyACRQLDVLHMEUPP-UHFFFAOYSA-N
MW314.11 g/mol
LogP2.45
Rot. Bonds2

About [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate

[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate (PubChem CID 175558426) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate.

Molecular Properties

Compound Name[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate
PubChem CID175558426
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate
SMILESCn1nccc1-c1ccc(Br)c(F)c1OC(N)=O
InChIInChI=1S/C11H9BrFN3O2/c1-16-8(4-5-15-16)6-2-3-7(12)9(13)10(6)18-11(14)17/h2-5H,1H3,(H2,14,17)
InChIKeyACRQLDVLHMEUPP-UHFFFAOYSA-N
XLogP2.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate 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 [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate?
The IUPAC name of [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate (CID 175558426) is [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate.
What is the SMILES notation for [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate?
The canonical SMILES for [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate is Cn1nccc1-c1ccc(Br)c(F)c1OC(N)=O.
What is the InChIKey of [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate?
The InChIKey is ACRQLDVLHMEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c1-16-8(4-5-15-16)6-2-3-7(12)9(13)10(6)18-11(14)17/h2-5H,1H3,(H2,14,17).
What are the key properties of [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate?
[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate has a molecular weight of 314.11 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate is sourced from PubChem (CID 175558426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).