2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H20N4O — CID 115054456

IUPAC2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc2nc(CCC3CCNC3)cc(=O)n2[nH]1
InChIInChI=1S/C14H20N4O/c1-2-11-7-13-16-12(8-14(19)18(13)17-11)4-3-10-5-6-15-9-10/h7-8,10,15,17H,2-6,9H2,1H3
InChIKeyLYXBRNJBABRNDE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.13
Rot. Bonds4

About 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054456) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115054456
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc2nc(CCC3CCNC3)cc(=O)n2[nH]1
InChIInChI=1S/C14H20N4O/c1-2-11-7-13-16-12(8-14(19)18(13)17-11)4-3-10-5-6-15-9-10/h7-8,10,15,17H,2-6,9H2,1H3
InChIKeyLYXBRNJBABRNDE-UHFFFAOYSA-N
XLogP1.13
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054511
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
2-phenyl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054508
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172670586
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115054456) is 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc2nc(CCC3CCNC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LYXBRNJBABRNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-11-7-13-16-12(8-14(19)18(13)17-11)4-3-10-5-6-15-9-10/h7-8,10,15,17H,2-6,9H2,1H3.
What are the key properties of 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).