1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine

C12H21N3O — CID 112705390

IUPAC1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCC(NCc1cn(C)nc1C)C1CC1
InChIInChI=1S/C12H21N3O/c1-9-11(7-15(2)14-9)6-13-12(8-16-3)10-4-5-10/h7,10,12-13H,4-6,8H2,1-3H3
InChIKeyAGMYIZVONYZFDC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.24
Rot. Bonds6

About 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine

1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 112705390) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID112705390
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCC(NCc1cn(C)nc1C)C1CC1
InChIInChI=1S/C12H21N3O/c1-9-11(7-15(2)14-9)6-13-12(8-16-3)10-4-5-10/h7,10,12-13H,4-6,8H2,1-3H3
InChIKeyAGMYIZVONYZFDC-UHFFFAOYSA-N
XLogP1.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 112705390) is 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine is COCC(NCc1cn(C)nc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is AGMYIZVONYZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-11(7-15(2)14-9)6-13-12(8-16-3)10-4-5-10/h7,10,12-13H,4-6,8H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 112705390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).