5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

C10H7BrFN3O2 — CID 117482875

IUPAC5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(c(Br)c2F)OCO3)[nH]n1
InChIInChI=1S/C10H7BrFN3O2/c11-8-9(12)4(5-2-7(13)15-14-5)1-6-10(8)17-3-16-6/h1-2H,3H2,(H3,13,14,15)
InChIKeySRVLFYKWACNKQX-UHFFFAOYSA-N
MW300.09 g/mol
LogP2.29
Rot. Bonds1

About 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (PubChem CID 117482875) has the molecular formula C10H7BrFN3O2 and a molecular weight of 300.09 g/mol. Its IUPAC name is 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
PubChem CID117482875
Molecular FormulaC10H7BrFN3O2
Molecular Weight300.09 g/mol
Exact Mass298.97
IUPAC Name5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(c(Br)c2F)OCO3)[nH]n1
InChIInChI=1S/C10H7BrFN3O2/c11-8-9(12)4(5-2-7(13)15-14-5)1-6-10(8)17-3-16-6/h1-2H,3H2,(H3,13,14,15)
InChIKeySRVLFYKWACNKQX-UHFFFAOYSA-N
XLogP2.29
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.09
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine 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

6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
CID 137017136
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117334141
5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117427132
4-(3-amino-1H-pyrazol-5-yl)-6-fluoro-1,3-benzodioxol-5-ol
CID 137017138
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 117437317
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 115111632
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
CID 117456786

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (CID 117482875) is 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3c(c(Br)c2F)OCO3)[nH]n1.
What is the InChIKey of 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is SRVLFYKWACNKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O2/c11-8-9(12)4(5-2-7(13)15-14-5)1-6-10(8)17-3-16-6/h1-2H,3H2,(H3,13,14,15).
What are the key properties of 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 300.09 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117482875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).