1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one

C20H24BrN3O2 — CID 142988550

IUPAC1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(CC1CCCC1)N1CC(N2CCCC2=O)C(c2ccc(Br)cc2)=N1
InChIInChI=1S/C20H24BrN3O2/c21-16-9-7-15(8-10-16)20-17(23-11-3-6-18(23)25)13-24(22-20)19(26)12-14-4-1-2-5-14/h7-10,14,17H,1-6,11-13H2
InChIKeyKEIPMROMGLRXHZ-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.57
Rot. Bonds4

About 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one

1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one (PubChem CID 142988550) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
PubChem CID142988550
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(CC1CCCC1)N1CC(N2CCCC2=O)C(c2ccc(Br)cc2)=N1
InChIInChI=1S/C20H24BrN3O2/c21-16-9-7-15(8-10-16)20-17(23-11-3-6-18(23)25)13-24(22-20)19(26)12-14-4-1-2-5-14/h7-10,14,17H,1-6,11-13H2
InChIKeyKEIPMROMGLRXHZ-UHFFFAOYSA-N
XLogP3.57
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-chlorophenyl)-2-[2-(3,4-dichlorophenyl)acetyl]-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
CID 142988542
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)-4-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980924
5-(4-chlorophenyl)-N'-[2-(4-chlorophenyl)-2,2-difluoroethyl]-N-cyano-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 142988310
N'-[(2-bromophenyl)methyl]-N-cyano-4-(2-oxopyrrolidin-1-yl)-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide
CID 142988472
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'-[(2-chlorophenyl)methyl]-N-cyano-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 142988504
1-[5-(4-bromocyclohexyl)-2-[2-(3,4-dichlorophenyl)acetyl]-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
CID 142988435
N'-[3-(4-tert-butylcyclohexyl)oxypropyl]-5-(4-chlorophenyl)-N-cyano-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 142680615
4-(4-methyl-2-oxopiperazin-1-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl chloride
CID 167170749
1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
CID 142988464

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one (CID 142988550) is 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one is O=C(CC1CCCC1)N1CC(N2CCCC2=O)C(c2ccc(Br)cc2)=N1.
What is the InChIKey of 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is KEIPMROMGLRXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c21-16-9-7-15(8-10-16)20-17(23-11-3-6-18(23)25)13-24(22-20)19(26)12-14-4-1-2-5-14/h7-10,14,17H,1-6,11-13H2.
What are the key properties of 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 418.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-2-(2-cyclopentylacetyl)-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 142988550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).