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

C15H14BrN3 — CID 82274167

IUPAC3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(-c3ccccc3Br)c2n1
InChIInChI=1S/C15H14BrN3/c1-9-8-10(2)19-15(17-9)14(11(3)18-19)12-6-4-5-7-13(12)16/h4-8H,1-3H3
InChIKeyZJBIVDRWERYSFX-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.08
Rot. Bonds1

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

3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274167) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID82274167
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(-c3ccccc3Br)c2n1
InChIInChI=1S/C15H14BrN3/c1-9-8-10(2)19-15(17-9)14(11(3)18-19)12-6-4-5-7-13(12)16/h4-8H,1-3H3
InChIKeyZJBIVDRWERYSFX-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

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Related Compounds

3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274166
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
2,4-dimethylpyrimido[1,2-b]indazole
CID 2320560
5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4971379
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4898409
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4900741
methyl 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 57412729
methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
CID 20967183
7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3790883

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 82274167) is 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C)c(-c3ccccc3Br)c2n1.
What is the InChIKey of 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZJBIVDRWERYSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-9-8-10(2)19-15(17-9)14(11(3)18-19)12-6-4-5-7-13(12)16/h4-8H,1-3H3.
What are the key properties of 3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
3-(2-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-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).