Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cccc(Cn2ccc(N)n2)c1- InChIKey
KEMBJAMJHBPPMJ-UHFFFAOYSA-N- Molecular formula
- C15H20N4O2
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.15862589
Names & identifiers
- Preferred name
- [3-(3-Amino-pyrazol-1-ylmethyl)-phenyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-[(3-aminopyrazol-1-yl)methyl]phenyl]carbamate
Names & synonyms
SCHEMBL1863222KEMBJAMJHBPPMJ-UHFFFAOYSA-N[3-(3-Amino-pyrazol-1-ylmethyl)-phenyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67190890
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
1 records
Compound notes
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