5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C13H9Cl2N3O — CID 82274347

IUPAC5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3c(Cl)cc(Cl)nc23)cc1
InChIInChI=1S/C13H9Cl2N3O/c1-19-9-4-2-8(3-5-9)10-7-16-18-12(15)6-11(14)17-13(10)18/h2-7H,1H3
InChIKeyQMWFPXYXSGSRHV-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.71
Rot. Bonds2

About 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82274347) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82274347
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3c(Cl)cc(Cl)nc23)cc1
InChIInChI=1S/C13H9Cl2N3O/c1-19-9-4-2-8(3-5-9)10-7-16-18-12(15)6-11(14)17-13(10)18/h2-7H,1H3
InChIKeyQMWFPXYXSGSRHV-UHFFFAOYSA-N
XLogP3.71
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 82274339
5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 89389879
5,7-dichloro-3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 82274342
5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 82274624
6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
CID 170855643
7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 164575690
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 53367635
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5154200
7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89057831

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 82274347) is 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnn3c(Cl)cc(Cl)nc23)cc1.
What is the InChIKey of 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QMWFPXYXSGSRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c1-19-9-4-2-8(3-5-9)10-7-16-18-12(15)6-11(14)17-13(10)18/h2-7H,1H3.
What are the key properties of 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 294.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).