5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H20N4O2 — CID 172672766

IUPAC5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1ccc(CN2CC(c3cc(=O)n4[nH]ccc4n3)CC2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-2-13-3-5-14(6-4-13)11-22-12-15(9-18(22)24)16-10-19(25)23-17(21-16)7-8-20-23/h3-8,10,15,20H,2,9,11-12H2,1H3
InChIKeySWEJZTHSVNIYQE-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.10
Rot. Bonds4

About 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172672766) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172672766
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1ccc(CN2CC(c3cc(=O)n4[nH]ccc4n3)CC2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-2-13-3-5-14(6-4-13)11-22-12-15(9-18(22)24)16-10-19(25)23-17(21-16)7-8-20-23/h3-8,10,15,20H,2,9,11-12H2,1H3
InChIKeySWEJZTHSVNIYQE-UHFFFAOYSA-N
XLogP2.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973516
5-(thian-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66896766
5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132819
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132729
2-(3-chlorophenyl)-3-methyl-5-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98132982
2-(azepan-1-yl)-4-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881801
3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-4-(3-ethylphenyl)-1H-1,2,4-triazol-5-one
CID 95128709
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973506
5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167972124
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172672766) is 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1ccc(CN2CC(c3cc(=O)n4[nH]ccc4n3)CC2=O)cc1.
What is the InChIKey of 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SWEJZTHSVNIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-13-3-5-14(6-4-13)11-22-12-15(9-18(22)24)16-10-19(25)23-17(21-16)7-8-20-23/h3-8,10,15,20H,2,9,11-12H2,1H3.
What are the key properties of 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 336.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172672766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).