3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C14H12BrN3O — CID 4775099

IUPAC3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1
InChIInChI=1S/C14H12BrN3O/c1-9-13(15)14-16-8-7-12(18(14)17-9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3
InChIKeyRRGFRJPYZGYMEI-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.48
Rot. Bonds2

About 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4775099) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4775099
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1
InChIInChI=1S/C14H12BrN3O/c1-9-13(15)14-16-8-7-12(18(14)17-9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3
InChIKeyRRGFRJPYZGYMEI-UHFFFAOYSA-N
XLogP3.48
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Methyl substituted pyrazole, 28
CID 23648676
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
6-[[5-Bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376873
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4775099) is 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1.
What is the InChIKey of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RRGFRJPYZGYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-13(15)14-16-8-7-12(18(14)17-9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 318.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4775099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).