4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine

C16H13BrFN3 — CID 43336413

IUPAC4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2F)c(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C16H13BrFN3/c1-21-16(19)14(10-6-8-11(17)9-7-10)15(20-21)12-4-2-3-5-13(12)18/h2-9H,19H2,1H3
InChIKeyIEOYCQSRLKILJA-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.24
Rot. Bonds2

About 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine

4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 43336413) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID43336413
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2F)c(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C16H13BrFN3/c1-21-16(19)14(10-6-8-11(17)9-7-10)15(20-21)12-4-2-3-5-13(12)18/h2-9H,19H2,1H3
InChIKeyIEOYCQSRLKILJA-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-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

3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 43336416
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 79977683
4-(2-fluorophenyl)-1-methyl-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118815
4-(2-fluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552624
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687586
4-(2-bromophenyl)-3-(3-fluoro-4-pyridinyl)-1-methylpyrazol-5-amine
CID 64949706
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821046
3-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336483
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine (CID 43336413) is 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccccc2F)c(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is IEOYCQSRLKILJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-21-16(19)14(10-6-8-11(17)9-7-10)15(20-21)12-4-2-3-5-13(12)18/h2-9H,19H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine?
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 346.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).