5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole

C16H10BrFN2O2 — CID 54763252

IUPAC5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nc(Br)cc2-c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H10BrFN2O2/c17-16-8-13(10-1-6-14-15(7-10)22-9-21-14)20(19-16)12-4-2-11(18)3-5-12/h1-8H,9H2
InChIKeyVEOSEIGOWMRWFA-UHFFFAOYSA-N
MW361.17 g/mol
LogP4.17
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole

5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole (PubChem CID 54763252) has the molecular formula C16H10BrFN2O2 and a molecular weight of 361.17 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole
PubChem CID54763252
Molecular FormulaC16H10BrFN2O2
Molecular Weight361.17 g/mol
Exact Mass359.99
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nc(Br)cc2-c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H10BrFN2O2/c17-16-8-13(10-1-6-14-15(7-10)22-9-21-14)20(19-16)12-4-2-11(18)3-5-12/h1-8H,9H2
InChIKeyVEOSEIGOWMRWFA-UHFFFAOYSA-N
XLogP4.17
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

[5-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
CID 71692518
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzonitrile
CID 141141743
5-(1,3-benzodioxol-5-yl)-1-(4-isocyanatophenyl)pyrazole-3-carboxylic acid
CID 169355913
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide
CID 45273800
2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine
CID 142637114
5-(1,3-benzodioxol-5-yl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 22226761
N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-fluorobenzamide
CID 24717981
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
1-(4-fluorophenyl)-5-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxylic acid
CID 56926008
1-(1,3-benzodioxol-5-yl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 22909693
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60592478
[3-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-bromophenyl)methanone
CID 118736837

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole (CID 54763252) is 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole is Fc1ccc(-n2nc(Br)cc2-c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole?
The InChIKey is VEOSEIGOWMRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O2/c17-16-8-13(10-1-6-14-15(7-10)22-9-21-14)20(19-16)12-4-2-11(18)3-5-12/h1-8H,9H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole?
5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole has a molecular weight of 361.17 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 54763252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).