2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C21H19N3O3 — CID 162647654

IUPAC2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccccc4)nn23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3/c1-25-18-11-15(12-19(26-2)21(18)27-3)17-9-10-22-20-13-16(23-24(17)20)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyMSWFPNNGCKNCEN-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.09
Rot. Bonds5

About 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162647654) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162647654
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccccc4)nn23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3/c1-25-18-11-15(12-19(26-2)21(18)27-3)17-9-10-22-20-13-16(23-24(17)20)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyMSWFPNNGCKNCEN-UHFFFAOYSA-N
XLogP4.09
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162647654) is 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3cc(-c4ccccc4)nn23)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MSWFPNNGCKNCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-25-18-11-15(12-19(26-2)21(18)27-3)17-9-10-22-20-13-16(23-24(17)20)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 361.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162647654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).