1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine
Basic information
- CAS
1002033-47-7- Standard SMILES
CCOc1ccc(Cn2cc(N)cn2)cc1OCC- InChIKey
NWHYFFCUCXYKDJ-UHFFFAOYSA-N- Molecular formula
- C14H19N3O2
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.14772686
Names & identifiers
- Preferred name
- 1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine
- IUPAC
- 1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-amine
Names & synonyms
1-(3,4-diethoxybenzyl)-1H-pyrazol-4-amine1002033-47-7MFCD056671211-[(3,4-Diethoxyphenyl)methyl]-1H-pyrazol-4-amine1-[(3,4-diethoxyphenyl)methyl]pyrazole-4-ylamine1-(3,4-Diethoxy-benzyl)-1H-pyrazol-4-ylamineDTXSID701231526SBB021254STK312233AKOS000305929DB-017164CS-0299281
Show more names
ST45091265EN300-2289741-[(3,4-diethoxyphenyl)methyl]pyrazol-4-amine1-(3,4-diethoxy-benzyl)-1 h-pyrazol-4-ylamine1-[(3,4-diethoxyphenyl)methyl]-1H-pyrazol-4-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
1002033-47-7- PubChem CID
- 7017129
- DTXSID
DTXSID701231526
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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