3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine

C16H13BrFN3 — CID 43336374

IUPAC3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)ccc2Br)c(-c2ccccc2)c1N
InChIInChI=1S/C16H13BrFN3/c1-21-16(19)14(10-5-3-2-4-6-10)15(20-21)12-9-11(18)7-8-13(12)17/h2-9H,19H2,1H3
InChIKeyGPUUBPPEBYIZSQ-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.24
Rot. Bonds2

About 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine

3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 43336374) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID43336374
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)ccc2Br)c(-c2ccccc2)c1N
InChIInChI=1S/C16H13BrFN3/c1-21-16(19)14(10-5-3-2-4-6-10)15(20-21)12-9-11(18)7-8-13(12)17/h2-9H,19H2,1H3
InChIKeyGPUUBPPEBYIZSQ-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

3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522775
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522025
1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine
CID 107972517
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine (CID 43336374) is 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine is Cn1nc(-c2cc(F)ccc2Br)c(-c2ccccc2)c1N.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is GPUUBPPEBYIZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-21-16(19)14(10-5-3-2-4-6-10)15(20-21)12-9-11(18)7-8-13(12)17/h2-9H,19H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-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-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 43336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).