N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine

C18H15Br2F2N3 — CID 118467866

IUPACN-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1cc(F)c(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Br)c1
InChIInChI=1S/C18H15Br2F2N3/c1-9-6-14(20)17(15(22)7-9)23-18-16(10(2)24-25(18)3)12-5-4-11(21)8-13(12)19/h4-8,23H,1-3H3
InChIKeyHSNQIUVOWYNHIU-UHFFFAOYSA-N
MW471.14 g/mol
LogP6.25
Rot. Bonds3

About N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine

N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 118467866) has the molecular formula C18H15Br2F2N3 and a molecular weight of 471.14 g/mol. Its IUPAC name is N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID118467866
Molecular FormulaC18H15Br2F2N3
Molecular Weight471.14 g/mol
Exact Mass468.96
IUPAC NameN-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1cc(F)c(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Br)c1
InChIInChI=1S/C18H15Br2F2N3/c1-9-6-14(20)17(15(22)7-9)23-18-16(10(2)24-25(18)3)12-5-4-11(21)8-13(12)19/h4-8,23H,1-3H3
InChIKeyHSNQIUVOWYNHIU-UHFFFAOYSA-N
XLogP6.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.14
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 118467866) is N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1cc(F)c(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is HSNQIUVOWYNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2F2N3/c1-9-6-14(20)17(15(22)7-9)23-18-16(10(2)24-25(18)3)12-5-4-11(21)8-13(12)19/h4-8,23H,1-3H3.
What are the key properties of N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 471.14 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 118467866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).