2-Butanol, 4-[(1H-pyrazol-3-ylmethyl)amino]-
Basic information
- CAS
1338948-05-2- Standard SMILES
CC(O)CCNCc1ccn[nH]1- InChIKey
HKKAIVROISXEOK-UHFFFAOYSA-N- Molecular formula
- C8H15N3O
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.12151211
Names & identifiers
- Preferred name
- 2-Butanol, 4-[(1H-pyrazol-3-ylmethyl)amino]-
- IUPAC
- 4-(1H-pyrazol-5-ylmethylamino)butan-2-ol
Names & synonyms
DTXSID501256596AKOS0135217712-Butanol, 4-[(1H-pyrazol-3-ylmethyl)amino]-4-{[(1H-Pyrazol-3-yl)methyl]amino}butan-2-ol1338948-05-2
Database identifiers
- CAS
1338948-05-2- PubChem CID
- 64201709
- DTXSID
DTXSID501256596
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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