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

C16H13BrFN3 — CID 43336493

IUPAC3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(Br)c2)c(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H13BrFN3/c1-21-16(19)14(10-5-7-13(18)8-6-10)15(20-21)11-3-2-4-12(17)9-11/h2-9H,19H2,1H3
InChIKeyMADHGBRAKHHZCG-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.24
Rot. Bonds2

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

3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 43336493) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID43336493
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(Br)c2)c(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H13BrFN3/c1-21-16(19)14(10-5-7-13(18)8-6-10)15(20-21)11-3-2-4-12(17)9-11/h2-9H,19H2,1H3
InChIKeyMADHGBRAKHHZCG-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

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Related Compounds

4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
CID 104785963
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050
3-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336483
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83222297
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine (CID 43336493) is 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2cccc(Br)c2)c(-c2ccc(F)cc2)c1N.
What is the InChIKey of 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is MADHGBRAKHHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-21-16(19)14(10-5-7-13(18)8-6-10)15(20-21)11-3-2-4-12(17)9-11/h2-9H,19H2,1H3.
What are the key properties of 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
3-(3-bromophenyl)-4-(4-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 3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).