3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

C15H14BrN3 — CID 82274166

IUPAC3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C15H14BrN3/c1-9-7-10(2)19-15(17-9)14(11(3)18-19)12-5-4-6-13(16)8-12/h4-8H,1-3H3
InChIKeySHDXXNOSZUDUBO-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.08
Rot. Bonds1

About 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274166) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID82274166
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C15H14BrN3/c1-9-7-10(2)19-15(17-9)14(11(3)18-19)12-5-4-6-13(16)8-12/h4-8H,1-3H3
InChIKeySHDXXNOSZUDUBO-UHFFFAOYSA-N
XLogP4.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine 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

3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274167
3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274775
3-(3-bromophenyl)-2-methyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17174880
5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522146
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 8707777
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine
CID 69080351
7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 4201948
N,N,2,5-tetramethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71463223
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
methyl 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 57412729
8-(3-bromophenyl)-6,11,13-trimethyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 102516934

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 82274166) is 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C)c(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SHDXXNOSZUDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-9-7-10(2)19-15(17-9)14(11(3)18-19)12-5-4-6-13(16)8-12/h4-8H,1-3H3.
What are the key properties of 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 316.20 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).