2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C23H19ClN4O2 — CID 71802699

IUPAC2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1CCCN1c1ccc(Cn2ccn3nc(-c4ccccc4Cl)cc3c2=O)cc1
InChIInChI=1S/C23H19ClN4O2/c24-19-5-2-1-4-18(19)20-14-21-23(30)26(12-13-28(21)25-20)15-16-7-9-17(10-8-16)27-11-3-6-22(27)29/h1-2,4-5,7-10,12-14H,3,6,11,15H2
InChIKeyVWLNOATVZMARQY-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.99
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 71802699) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID71802699
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1CCCN1c1ccc(Cn2ccn3nc(-c4ccccc4Cl)cc3c2=O)cc1
InChIInChI=1S/C23H19ClN4O2/c24-19-5-2-1-4-18(19)20-14-21-23(30)26(12-13-28(21)25-20)15-16-7-9-17(10-8-16)27-11-3-6-22(27)29/h1-2,4-5,7-10,12-14H,3,6,11,15H2
InChIKeyVWLNOATVZMARQY-UHFFFAOYSA-N
XLogP3.99
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 71823989
5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
CID 171146184
2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332186
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 51114000
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 46628962
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135127
2-(3-chloro-4-ethoxyphenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53043141
4-[[2-(2-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzoic acid
CID 53213062
1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one
CID 3703762
2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one
CID 172906699

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 71802699) is 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one is O=C1CCCN1c1ccc(Cn2ccn3nc(-c4ccccc4Cl)cc3c2=O)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VWLNOATVZMARQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-19-5-2-1-4-18(19)20-14-21-23(30)26(12-13-28(21)25-20)15-16-7-9-17(10-8-16)27-11-3-6-22(27)29/h1-2,4-5,7-10,12-14H,3,6,11,15H2.
What are the key properties of 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 418.88 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 71802699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).