1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one

C21H18ClN5O2 — CID 143257393

IUPAC1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CN(c2nc(-c3ccccc3)no2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O2/c22-16-10-8-14(9-11-16)19-17(26-12-4-7-18(26)28)13-27(24-19)21-23-20(25-29-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyBKQMFPCTBUQTMD-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.61
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one

1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one (PubChem CID 143257393) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
PubChem CID143257393
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CN(c2nc(-c3ccccc3)no2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O2/c22-16-10-8-14(9-11-16)19-17(26-12-4-7-18(26)28)13-27(24-19)21-23-20(25-29-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyBKQMFPCTBUQTMD-UHFFFAOYSA-N
XLogP3.61
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide
CID 143257392
5-(4-chlorophenyl)-N'-hydroxy-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 87896783
5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
CID 142988270
5-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N-cyano-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 142988504
[[2-(2-chlorophenyl)ethylamino]-[5-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazol-2-yl]methyl]cyanamide
CID 142988404
5-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980924
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4528792
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43933565
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]piperidin-2-one
CID 96580102
3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 70726934
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 42760540

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one (CID 143257393) is 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CN(c2nc(-c3ccccc3)no2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is BKQMFPCTBUQTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-16-10-8-14(9-11-16)19-17(26-12-4-7-18(26)28)13-27(24-19)21-23-20(25-29-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2.
What are the key properties of 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 407.86 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 143257393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).