4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine

C15H12BrFN4 — CID 104785963

IUPAC4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cncc(F)c2)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C15H12BrFN4/c1-21-15(18)13(9-3-2-4-11(16)5-9)14(20-21)10-6-12(17)8-19-7-10/h2-8H,18H2,1H3
InChIKeyFEPILFBPUAMUGN-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.63
Rot. Bonds2

About 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine

4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine (PubChem CID 104785963) has the molecular formula C15H12BrFN4 and a molecular weight of 347.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
PubChem CID104785963
Molecular FormulaC15H12BrFN4
Molecular Weight347.19 g/mol
Exact Mass346.02
IUPAC Name4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cncc(F)c2)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C15H12BrFN4/c1-21-15(18)13(9-3-2-4-11(16)5-9)14(20-21)10-6-12(17)8-19-7-10/h2-8H,18H2,1H3
InChIKeyFEPILFBPUAMUGN-UHFFFAOYSA-N
XLogP3.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
3-(5-fluoro-3-pyridinyl)-1,4-dimethylpyrazol-5-amine
CID 104785956
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522775
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine
CID 43336614

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine (CID 104785963) is 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine is Cn1nc(-c2cncc(F)c2)c(-c2cccc(Br)c2)c1N.
What is the InChIKey of 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine?
The InChIKey is FEPILFBPUAMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4/c1-21-15(18)13(9-3-2-4-11(16)5-9)14(20-21)10-6-12(17)8-19-7-10/h2-8H,18H2,1H3.
What are the key properties of 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine?
4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine has a molecular weight of 347.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 104785963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).