N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide

C12H15N3O3 — CID 134071915

IUPACN-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide
SMILESCN(C(=O)C1CCNN1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15N3O3/c1-15(12(16)9-4-5-13-14-9)8-2-3-10-11(6-8)18-7-17-10/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyNWRPZQCORIQUMX-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.24
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide (PubChem CID 134071915) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide
PubChem CID134071915
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide
SMILESCN(C(=O)C1CCNN1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15N3O3/c1-15(12(16)9-4-5-13-14-9)8-2-3-10-11(6-8)18-7-17-10/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyNWRPZQCORIQUMX-UHFFFAOYSA-N
XLogP0.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide (CID 134071915) is N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide is CN(C(=O)C1CCNN1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide?
The InChIKey is NWRPZQCORIQUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15(12(16)9-4-5-13-14-9)8-2-3-10-11(6-8)18-7-17-10/h2-3,6,9,13-14H,4-5,7H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134071915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).