5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine

C21H21BrFN7 — CID 153410146

IUPAC5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine
SMILESCCc1c(-c2ncc(-n3nc(C)c(Br)c3C)c(N)n2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C21H21BrFN7/c1-5-15-18(28-29(4)19(15)13-6-8-14(23)9-7-13)21-25-10-16(20(24)26-21)30-12(3)17(22)11(2)27-30/h6-10H,5H2,1-4H3,(H2,24,25,26)
InChIKeySDFOGNWEBPVDBZ-UHFFFAOYSA-N
MW470.35 g/mol
LogP4.39
Rot. Bonds4

About 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine

5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine (PubChem CID 153410146) has the molecular formula C21H21BrFN7 and a molecular weight of 470.35 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine
PubChem CID153410146
Molecular FormulaC21H21BrFN7
Molecular Weight470.35 g/mol
Exact Mass469.10
IUPAC Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine
SMILESCCc1c(-c2ncc(-n3nc(C)c(Br)c3C)c(N)n2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C21H21BrFN7/c1-5-15-18(28-29(4)19(15)13-6-8-14(23)9-7-13)21-25-10-16(20(24)26-21)30-12(3)17(22)11(2)27-30/h6-10H,5H2,1-4H3,(H2,24,25,26)
InChIKeySDFOGNWEBPVDBZ-UHFFFAOYSA-N
XLogP4.39
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]pyrimidine
CID 159575169
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 105492843
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 146448044
2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetic acid
CID 68662783
4-bromo-5-(4-fluorophenyl)-3-methyl-1-(2-methylsulfanylethyl)pyrazole
CID 59281300
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
CID 142754166
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-c]pyridine
CID 160719944
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870
4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4-methylsulfonylbutyl)pyrazole
CID 59281560
4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474027

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine (CID 153410146) is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine is CCc1c(-c2ncc(-n3nc(C)c(Br)c3C)c(N)n2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is SDFOGNWEBPVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrFN7/c1-5-15-18(28-29(4)19(15)13-6-8-14(23)9-7-13)21-25-10-16(20(24)26-21)30-12(3)17(22)11(2)27-30/h6-10H,5H2,1-4H3,(H2,24,25,26).
What are the key properties of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine?
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 470.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 153410146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).