6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H26N4O — CID 110238064

IUPAC6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCN(CCc4ccccc4)C3)[nH]n2c1=O
InChIInChI=1S/C21H26N4O/c1-3-18-15(2)22-20-13-19(23-25(20)21(18)26)17-10-12-24(14-17)11-9-16-7-5-4-6-8-16/h4-8,13,17,23H,3,9-12,14H2,1-2H3
InChIKeyCJQTYTXQOQJCHM-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.93
Rot. Bonds5

About 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110238064) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110238064
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCN(CCc4ccccc4)C3)[nH]n2c1=O
InChIInChI=1S/C21H26N4O/c1-3-18-15(2)22-20-13-19(23-25(20)21(18)26)17-10-12-24(14-17)11-9-16-7-5-4-6-8-16/h4-8,13,17,23H,3,9-12,14H2,1-2H3
InChIKeyCJQTYTXQOQJCHM-UHFFFAOYSA-N
XLogP2.93
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110238064) is 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCN(CCc4ccccc4)C3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CJQTYTXQOQJCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-18-15(2)22-20-13-19(23-25(20)21(18)26)17-10-12-24(14-17)11-9-16-7-5-4-6-8-16/h4-8,13,17,23H,3,9-12,14H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 350.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).