[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate

C19H21N3O3 — CID 96519661

IUPAC[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
SMILESO=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H21N3O3/c23-17-9-14(11-22(17)10-13-5-2-1-3-6-13)12-25-19(24)18-15-7-4-8-16(15)20-21-18/h1-3,5-6,14H,4,7-12H2,(H,20,21)/t14-/m1/s1
InChIKeyPKBSFZZFEWPMAC-CQSZACIVSA-N
MW339.39 g/mol
LogP2.10
Rot. Bonds5

About [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate

[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate (PubChem CID 96519661) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Name[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
PubChem CID96519661
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
SMILESO=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H21N3O3/c23-17-9-14(11-22(17)10-13-5-2-1-3-6-13)12-25-19(24)18-15-7-4-8-16(15)20-21-18/h1-3,5-6,14H,4,7-12H2,(H,20,21)/t14-/m1/s1
InChIKeyPKBSFZZFEWPMAC-CQSZACIVSA-N
XLogP2.10
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate with MolForge

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Related Compounds

[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 3-cyanobenzoate
CID 96519659
(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 71987707
(1-benzyl-5-oxopyrrolidin-3-yl)methyl 1-(3-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 172880568
(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate
CID 71845380
(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate
CID 166243406
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl pyridine-3-carboxylate
CID 97082060
(1-benzyl-5-oxopyrrolidin-3-yl)methyl methanesulfonate
CID 71623233
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 70759840
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate (CID 96519661) is [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate is O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c2c1CCC2.
What is the InChIKey of [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is PKBSFZZFEWPMAC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-9-14(11-22(17)10-13-5-2-1-3-6-13)12-25-19(24)18-15-7-4-8-16(15)20-21-18/h1-3,5-6,14H,4,7-12H2,(H,20,21)/t14-/m1/s1.
What are the key properties of [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 96519661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).