5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide

C18H21N3O4S — CID 74809678

IUPAC5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CC(COc2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C18H21N3O4S/c22-18(19-6-5-14-2-1-7-26-14)15-8-12(20-21-15)10-23-13-3-4-16-17(9-13)25-11-24-16/h1-4,7,9,12,15,20-21H,5-6,8,10-11H2,(H,19,22)
InChIKeyFXPYUUXRMOFPAU-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.45
Rot. Bonds7

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide (PubChem CID 74809678) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide
PubChem CID74809678
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CC(COc2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C18H21N3O4S/c22-18(19-6-5-14-2-1-7-26-14)15-8-12(20-21-15)10-23-13-3-4-16-17(9-13)25-11-24-16/h1-4,7,9,12,15,20-21H,5-6,8,10-11H2,(H,19,22)
InChIKeyFXPYUUXRMOFPAU-UHFFFAOYSA-N
XLogP1.45
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(1,3-benzodioxol-5-yloxymethyl)pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 74415804
5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
CID 75118909
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 77305603
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
CID 75261445
trans-(1R,2R)-2-[2-(1,3-benzodioxol-5-yloxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119800
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 39361390
N-[2-[[4-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062930

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide (CID 74809678) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide is O=C(NCCc1cccs1)C1CC(COc2ccc3c(c2)OCO3)NN1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide?
The InChIKey is FXPYUUXRMOFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(19-6-5-14-2-1-7-26-14)15-8-12(20-21-15)10-23-13-3-4-16-17(9-13)25-11-24-16/h1-4,7,9,12,15,20-21H,5-6,8,10-11H2,(H,19,22).
What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide?
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 74809678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).