5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine

C11H12BrFN4 — CID 43555541

IUPAC5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(Nc2cc(Br)ccc2F)c1N
InChIInChI=1S/C11H12BrFN4/c1-6-10(14)11(17(2)16-6)15-9-5-7(12)3-4-8(9)13/h3-5,15H,14H2,1-2H3
InChIKeyYVAFFXKRFZNMJH-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.96
Rot. Bonds2

About 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43555541) has the molecular formula C11H12BrFN4 and a molecular weight of 299.15 g/mol. Its IUPAC name is 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43555541
Molecular FormulaC11H12BrFN4
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(Nc2cc(Br)ccc2F)c1N
InChIInChI=1S/C11H12BrFN4/c1-6-10(14)11(17(2)16-6)15-9-5-7(12)3-4-8(9)13/h3-5,15H,14H2,1-2H3
InChIKeyYVAFFXKRFZNMJH-UHFFFAOYSA-N
XLogP2.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine 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-N-(3-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 113451841
5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554203
5-N-(4-bromo-2-fluorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017406
5-(4-bromo-2-fluoroanilino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757025
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
CID 43554200
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
CID 43580488
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
5-(5-bromo-2-iodoanilino)-1,3-dimethylpyrazole-4-carbonitrile
CID 114260200
5-N-(5-chloro-2-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017683
5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554148
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]benzonitrile
CID 43554163

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine (CID 43555541) is 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(Nc2cc(Br)ccc2F)c1N.
What is the InChIKey of 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is YVAFFXKRFZNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4/c1-6-10(14)11(17(2)16-6)15-9-5-7(12)3-4-8(9)13/h3-5,15H,14H2,1-2H3.
What are the key properties of 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 299.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43555541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).