2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine

C15H19N3O2 — CID 106757117

IUPAC2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
SMILESCC(Nc1ccc2c(c1)OC(C)(C)O2)c1ccnn1C
InChIInChI=1S/C15H19N3O2/c1-10(12-7-8-16-18(12)4)17-11-5-6-13-14(9-11)20-15(2,3)19-13/h5-10,17H,1-4H3
InChIKeyIAYVEVYLJYNAFF-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.10
Rot. Bonds3

About 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine

2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine (PubChem CID 106757117) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
PubChem CID106757117
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
SMILESCC(Nc1ccc2c(c1)OC(C)(C)O2)c1ccnn1C
InChIInChI=1S/C15H19N3O2/c1-10(12-7-8-16-18(12)4)17-11-5-6-13-14(9-11)20-15(2,3)19-13/h5-10,17H,1-4H3
InChIKeyIAYVEVYLJYNAFF-UHFFFAOYSA-N
XLogP3.10
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine 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

N-[1-(2-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 106756822
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756876
N-[1-(furan-2-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676321
2-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]ethyl]phenol
CID 43676333
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
3-chloro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756808
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63751921
3-ethynyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756777
N-(1-cyclopropylethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676320
2,2-dimethyl-N-pentan-2-yl-1,3-benzodioxol-5-amine
CID 43676303

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine (CID 106757117) is 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine is CC(Nc1ccc2c(c1)OC(C)(C)O2)c1ccnn1C.
What is the InChIKey of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine?
The InChIKey is IAYVEVYLJYNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(12-7-8-16-18(12)4)17-11-5-6-13-14(9-11)20-15(2,3)19-13/h5-10,17H,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine?
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine is sourced from PubChem (CID 106757117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).