5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide

C16H17N3O3S — CID 75118909

IUPAC5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(c2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C16H17N3O3S/c20-16(17-8-11-2-1-5-23-11)13-7-12(18-19-13)10-3-4-14-15(6-10)22-9-21-14/h1-6,12-13,18-19H,7-9H2,(H,17,20)
InChIKeyPIGJZVHABQXVCZ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.70
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide (PubChem CID 75118909) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
PubChem CID75118909
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(c2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C16H17N3O3S/c20-16(17-8-11-2-1-5-23-11)13-7-12(18-19-13)10-3-4-14-15(6-10)22-9-21-14/h1-6,12-13,18-19H,7-9H2,(H,17,20)
InChIKeyPIGJZVHABQXVCZ-UHFFFAOYSA-N
XLogP1.70
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
methyl 5-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxylate
CID 78292346
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide
CID 74809678
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
CID 78081006
5-(1,3-benzodioxol-5-yl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazolidine-3-carboxamide
CID 75118908
7-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90630917
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 52991221
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide (CID 75118909) is 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide is O=C(NCc1cccs1)C1CC(c2ccc3c(c2)OCO3)NN1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide?
The InChIKey is PIGJZVHABQXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(17-8-11-2-1-5-23-11)13-7-12(18-19-13)10-3-4-14-15(6-10)22-9-21-14/h1-6,12-13,18-19H,7-9H2,(H,17,20).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75118909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).