N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide

C19H21N3O3 — CID 52975623

IUPACN-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CNNC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21N3O3/c23-19(20-11-13-4-2-1-3-5-13)15-12-21-22-18(15)14-6-7-16-17(10-14)25-9-8-24-16/h1-7,10,15,18,21-22H,8-9,11-12H2,(H,20,23)
InChIKeyFVQOYTSKQVUKPH-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds4

About N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide

N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide (PubChem CID 52975623) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
PubChem CID52975623
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CNNC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21N3O3/c23-19(20-11-13-4-2-1-3-5-13)15-12-21-22-18(15)14-6-7-16-17(10-14)25-9-8-24-16/h1-7,10,15,18,21-22H,8-9,11-12H2,(H,20,23)
InChIKeyFVQOYTSKQVUKPH-UHFFFAOYSA-N
XLogP1.54
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52990294
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)pyrazolidine-4-carbohydrazide
CID 52975528
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136136
3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
CID 52975448
2-[3-[[[(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 125131749
1-benzyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiourea
CID 18271886
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 52978396
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 52989302
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
(2S,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methoxyphenyl)methyl]-5-oxooxolane-3-carboxamide
CID 95166716

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide (CID 52975623) is N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide is O=C(NCc1ccccc1)C1CNNC1c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide?
The InChIKey is FVQOYTSKQVUKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(20-11-13-4-2-1-3-5-13)15-12-21-22-18(15)14-6-7-16-17(10-14)25-9-8-24-16/h1-7,10,15,18,21-22H,8-9,11-12H2,(H,20,23).
What are the key properties of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide?
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 52975623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).