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

C18H16Br2FN3 — CID 118467878

IUPAC4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Br)c1
InChIInChI=1S/C18H16Br2FN3/c1-10-4-7-16(15(20)8-10)22-18-17(11(2)23-24(18)3)13-6-5-12(21)9-14(13)19/h4-9,22H,1-3H3
InChIKeyPLJONOLNZBQMOT-UHFFFAOYSA-N
MW453.15 g/mol
LogP6.11
Rot. Bonds3

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

4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 118467878) has the molecular formula C18H16Br2FN3 and a molecular weight of 453.15 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID118467878
Molecular FormulaC18H16Br2FN3
Molecular Weight453.15 g/mol
Exact Mass450.97
IUPAC Name4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Br)c1
InChIInChI=1S/C18H16Br2FN3/c1-10-4-7-16(15(20)8-10)22-18-17(11(2)23-24(18)3)13-6-5-12(21)9-14(13)19/h4-9,22H,1-3H3
InChIKeyPLJONOLNZBQMOT-UHFFFAOYSA-N
XLogP6.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.15
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazol-5-amine, 1-benzyl-3-(3-bromophenyl)-
CID 563996
5-(4-bromobenzyl)-3-tert-butyl-1-phenyl-1H-pyrazole
CID 139060681
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(3'-fluoro-4'-methyl-biphenyl-4-yl)-amine
CID 11494229
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(3,3',4'-trifluoro-biphenyl-4-yl)-amine
CID 11494671
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-(4'-fluoro-biphenyl-4-yl)-amine
CID 11501104
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(4'-fluoro-3'-methyl-biphenyl-4-yl)-amine
CID 11508765
4-bromo-N-[4-(2-fluorophenyl)phenyl]-1-methylpyrazol-5-amine
CID 11551951
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(4'-fluoro-biphenyl-4-yl)-amine
CID 11573775
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(2-fluoro-biphenyl-4-yl)-amine
CID 11602657
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(4'-fluoro-2'-methyl-biphenyl-4-yl)-amine
CID 11602940
(2,5-Dimethyl-2H-pyrazol-3-yl)-(4'-fluoro-biphenyl-4-yl)-amine
CID 11652073
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(3',5'-difluoro-biphenyl-4-yl)-amine
CID 11660570

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine (CID 118467878) is 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine is Cc1ccc(Nc2c(-c3ccc(F)cc3Br)c(C)nn2C)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is PLJONOLNZBQMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2FN3/c1-10-4-7-16(15(20)8-10)22-18-17(11(2)23-24(18)3)13-6-5-12(21)9-14(13)19/h4-9,22H,1-3H3.
What are the key properties of 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine?
4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 453.15 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)-N-(2-bromo-4-methylphenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 118467878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).