2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C16H17N3O2 — CID 3243378

IUPAC2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(C)n3n2)c(OC)c1
InChIInChI=1S/C16H17N3O2/c1-10-7-11(2)19-16(17-10)9-14(18-19)13-6-5-12(20-3)8-15(13)21-4/h5-9H,1-4H3
InChIKeyIQFFUEJJCQCMRP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 3243378) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID3243378
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(C)n3n2)c(OC)c1
InChIInChI=1S/C16H17N3O2/c1-10-7-11(2)19-16(17-10)9-14(18-19)13-6-5-12(20-3)8-15(13)21-4/h5-9H,1-4H3
InChIKeyIQFFUEJJCQCMRP-UHFFFAOYSA-N
XLogP3.03
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 3243378) is 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(C)cc(C)n3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IQFFUEJJCQCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-11(2)19-16(17-10)9-14(18-19)13-6-5-12(20-3)8-15(13)21-4/h5-9H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 283.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3243378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).