5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide

C11H14N4O3 — CID 77046165

IUPAC5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
SMILESNC1CC(C(=O)Nc2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C11H14N4O3/c12-10-4-7(14-15-10)11(16)13-6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10,14-15H,4-5,12H2,(H,13,16)
InChIKeyWCDYOHVHYPFOLZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.49
Rot. Bonds2

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

5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide (PubChem CID 77046165) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
PubChem CID77046165
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
SMILESNC1CC(C(=O)Nc2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C11H14N4O3/c12-10-4-7(14-15-10)11(16)13-6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10,14-15H,4-5,12H2,(H,13,16)
InChIKeyWCDYOHVHYPFOLZ-UHFFFAOYSA-N
XLogP-0.49
TPSA97.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
CID 63103835
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
N-(1,3-benzodioxol-5-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798048
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
CID 75261445
(1S,2R,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7047583

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide (CID 77046165) is 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide is NC1CC(C(=O)Nc2ccc3c(c2)OCO3)NN1.
What is the InChIKey of 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide?
The InChIKey is WCDYOHVHYPFOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10-4-7(14-15-10)11(16)13-6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10,14-15H,4-5,12H2,(H,13,16).
What are the key properties of 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide?
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 77046165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).