6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H20N4O2 — CID 138997716

IUPAC6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC1CCCN1C(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C15H20N4O2/c1-3-11-5-4-8-18(11)14(20)9-12-10(2)17-13-6-7-16-19(13)15(12)21/h6-7,11,16H,3-5,8-9H2,1-2H3
InChIKeyNAWJAZLEIXSOLK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.27
Rot. Bonds3

About 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138997716) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138997716
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC1CCCN1C(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C15H20N4O2/c1-3-11-5-4-8-18(11)14(20)9-12-10(2)17-13-6-7-16-19(13)15(12)21/h6-7,11,16H,3-5,8-9H2,1-2H3
InChIKeyNAWJAZLEIXSOLK-UHFFFAOYSA-N
XLogP1.27
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120571003
6-[2-(2-cyclopropyl-3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 139004415
6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120801874
2-[cyclopropyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 119202309
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 129351156
6-[2-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 128978500
2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 119191881
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
3-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 119169844
6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273624
5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 95282086

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 138997716) is 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCC1CCCN1C(=O)Cc1c(C)nc2cc[nH]n2c1=O.
What is the InChIKey of 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NAWJAZLEIXSOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-11-5-4-8-18(11)14(20)9-12-10(2)17-13-6-7-16-19(13)15(12)21/h6-7,11,16H,3-5,8-9H2,1-2H3.
What are the key properties of 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138997716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).