5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine

C16H13BrFN3 — CID 62830309

IUPAC5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H13BrFN3/c1-9-2-4-10(5-3-9)14-15(20-21-16(14)19)12-8-11(18)6-7-13(12)17/h2-8H,1H3,(H3,19,20,21)
InChIKeyOOBVYXRHGVPOCM-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.54
Rot. Bonds2

About 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine

5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62830309) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62830309
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H13BrFN3/c1-9-2-4-10(5-3-9)14-15(20-21-16(14)19)12-8-11(18)6-7-13(12)17/h2-8H,1H3,(H3,19,20,21)
InChIKeyOOBVYXRHGVPOCM-UHFFFAOYSA-N
XLogP4.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 62830309) is 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2-c2cc(F)ccc2Br)cc1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is OOBVYXRHGVPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-9-2-4-10(5-3-9)14-15(20-21-16(14)19)12-8-11(18)6-7-13(12)17/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 346.20 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62830309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).