benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate

C19H21N3O3 — CID 5005887

IUPACbenzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate
SMILESO=C(NCc1ccccc1)N1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21N3O3/c23-18(20-14-16-8-3-1-4-9-16)21-12-7-13-22(21)19(24)25-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,23)
InChIKeyMRMQAHCNQAWVHO-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.16
Rot. Bonds4

About benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate

benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate (PubChem CID 5005887) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate
PubChem CID5005887
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Namebenzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate
SMILESO=C(NCc1ccccc1)N1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21N3O3/c23-18(20-14-16-8-3-1-4-9-16)21-12-7-13-22(21)19(24)25-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,23)
InChIKeyMRMQAHCNQAWVHO-UHFFFAOYSA-N
XLogP3.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-cyanopyrazolidine-1-carboxylate
CID 11564880
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
N-benzylazonane-1-carboxamide
CID 130689649
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
benzyl 4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 22229204
benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate
CID 3766365
benzyl 4-(cyclopentylcarbamoyl)-1,4-diazepane-1-carboxylate
CID 110811707
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
(3S)-2-nitroso-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid
CID 89249618

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate?
The IUPAC name of benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate (CID 5005887) is benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate is O=C(NCc1ccccc1)N1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate?
The InChIKey is MRMQAHCNQAWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(20-14-16-8-3-1-4-9-16)21-12-7-13-22(21)19(24)25-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,23).
What are the key properties of benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate?
benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 5005887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).