N-(2-Aminoethyl)-2-(3-methyl-1H-pyrazol-1-YL)acetamide
Basic information
- CAS
1006482-79-6- Standard SMILES
Cc1ccn(CC(=O)NCCN)n1- InChIKey
NONDTHXMUFYISH-UHFFFAOYSA-N- Molecular formula
- C8H14N4O
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.11676108
Names & identifiers
- Preferred name
- N-(2-Aminoethyl)-2-(3-methyl-1H-pyrazol-1-YL)acetamide
- IUPAC
- N-(2-aminoethyl)-2-(3-methylpyrazol-1-yl)acetamide
Names & synonyms
1006482-79-6N-(2-AMINOETHYL)-2-(3-METHYL-1H-PYRAZOL-1-YL)ACETAMIDEN-(2-aminoethyl)-2-(3-methylpyrazol-1-yl)acetamideMFCD04970108DTXSID601234660STL583904AKOS000310574ST45256217N-(2-aminoethyl)-2-(3-methylpyrazolyl)acetamideN-(2-Aminoethyl)-3-methyl-1H-pyrazole-1-acetamide
Database identifiers
- CAS
1006482-79-6- PubChem CID
- 19620779
- DTXSID
DTXSID601234660
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
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Compound notes
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