3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine

C11H15N3O2 — CID 74796918

IUPAC3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine
SMILESCC1NNC(c2ccc3c(c2)OCO3)C1N
InChIInChI=1S/C11H15N3O2/c1-6-10(12)11(14-13-6)7-2-3-8-9(4-7)16-5-15-8/h2-4,6,10-11,13-14H,5,12H2,1H3
InChIKeyRQJLRXDNGVQJPA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.28
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine

3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine (PubChem CID 74796918) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine
PubChem CID74796918
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine
SMILESCC1NNC(c2ccc3c(c2)OCO3)C1N
InChIInChI=1S/C11H15N3O2/c1-6-10(12)11(14-13-6)7-2-3-8-9(4-7)16-5-15-8/h2-4,6,10-11,13-14H,5,12H2,1H3
InChIKeyRQJLRXDNGVQJPA-UHFFFAOYSA-N
XLogP0.28
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropan-1-amine
CID 178199727
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
2-(1,3-benzodioxol-5-yl)-3-ethylsulfonylcyclopropan-1-amine
CID 102569467
5-[(1R,2R)-2-methylcyclohexyl]-1,3-benzodioxole
CID 50930797
sodium (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate
CID 23681384
(1S,2S,4S,5S)-2,4-bis(1,3-benzodioxol-5-yl)-3-azabicyclo[3.3.1]nonan-9-one
CID 100824865
(1R,2R,4R,5S)-2,4-bis(1,3-benzodioxol-5-yl)-3-azabicyclo[3.3.1]nonan-9-one
CID 7077442
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine
CID 71650916
(1R,6S)-6-(1,3-benzodioxol-5-yl)cyclohex-3-en-1-amine;hydrochloride
CID 131875726
5-(2,5,6-trimethyl-1,3-dioxan-4-yl)-1,3-benzodioxole
CID 13179341
5-(1,3-benzodioxol-5-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 66241651
4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
CID 79962095

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine (CID 74796918) is 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine is CC1NNC(c2ccc3c(c2)OCO3)C1N.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine?
The InChIKey is RQJLRXDNGVQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6-10(12)11(14-13-6)7-2-3-8-9(4-7)16-5-15-8/h2-4,6,10-11,13-14H,5,12H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine?
3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine has a molecular weight of 221.26 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine is sourced from PubChem (CID 74796918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).