2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C21H26N4O2 — CID 648651

IUPAC2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1
InChIInChI=1S/C21H26N4O2/c1-5-16-14(2)22-20-13-17(15-8-9-18(26-3)19(12-15)27-4)23-25(20)21(16)24-10-6-7-11-24/h8-9,12-13H,5-7,10-11H2,1-4H3
InChIKeyYSWNKYJWULCQJI-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.88
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 648651) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID648651
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1
InChIInChI=1S/C21H26N4O2/c1-5-16-14(2)22-20-13-17(15-8-9-18(26-3)19(12-15)27-4)23-25(20)21(16)24-10-6-7-11-24/h8-9,12-13H,5-7,10-11H2,1-4H3
InChIKeyYSWNKYJWULCQJI-UHFFFAOYSA-N
XLogP3.88
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 648651) is 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YSWNKYJWULCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-5-16-14(2)22-20-13-17(15-8-9-18(26-3)19(12-15)27-4)23-25(20)21(16)24-10-6-7-11-24/h8-9,12-13H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 648651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).