1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine

C19H21N5O3 — CID 74416124

IUPAC1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccc2nonc2c1)CC1CNNC1c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N5O3/c1-24(9-12-2-4-15-16(6-12)23-27-22-15)10-14-8-20-21-19(14)13-3-5-17-18(7-13)26-11-25-17/h2-7,14,19-21H,8-11H2,1H3
InChIKeyGOQHZHSCKXJYLZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.85
Rot. Bonds5

About 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine

1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine (PubChem CID 74416124) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine
PubChem CID74416124
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccc2nonc2c1)CC1CNNC1c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N5O3/c1-24(9-12-2-4-15-16(6-12)23-27-22-15)10-14-8-20-21-19(14)13-3-5-17-18(7-13)26-11-25-17/h2-7,14,19-21H,8-11H2,1H3
InChIKeyGOQHZHSCKXJYLZ-UHFFFAOYSA-N
XLogP1.85
TPSA84.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,3-benzodioxol-5-ylmethyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]propan-2-ol
CID 73305897
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 52986589
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)-N-methylmethanamine
CID 42244756
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine
CID 74499611
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
CID 74810972
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpyrazolidin-4-yl)methanamine
CID 78356817
2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
CID 74790752
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 52991221
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
CID 52990222
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
CID 75258392
4-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 74588363

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine (CID 74416124) is 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine is CN(Cc1ccc2nonc2c1)CC1CNNC1c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine?
The InChIKey is GOQHZHSCKXJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24(9-12-2-4-15-16(6-12)23-27-22-15)10-14-8-20-21-19(14)13-3-5-17-18(7-13)26-11-25-17/h2-7,14,19-21H,8-11H2,1H3.
What are the key properties of 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine?
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine has a molecular weight of 367.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 74416124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).