2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
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Basic information
- CAS
85127-92-0- Standard SMILES
C=C(c1ccccc1OCC(O)CNC(C)(C)C)n1cccn1- InChIKey
JXPMOHORRCTRTH-UHFFFAOYSA-N- Molecular formula
- C18H25N3O2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.19467705
Names & identifiers
- Preferred name
- 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
- IUPAC
- 1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
- English name
- 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy )-
- Molecular weight
- 0
Names & synonyms
BRN 559619285127-92-03-(tert-Butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-RefChem:265980CHEMBL15206DTXSID6010055361-(tert-Butylamino)-3-{2-[1-(1H-pyrazol-1-yl)ethenyl]phenoxy}propan-2-ol1-(tert-Butylamino)-3-{2-[1-(1H-pyrazol-1-yl)ethen-1-yl]phenoxy}propan-2-ol2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy )-
Database identifiers
- CAS
85127-92-0- PubChem CID
- 3069766
- DTXSID
DTXSID601005536- ChEMBL
CHEMBL15206
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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