6-Amino-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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Basic information
- CAS
438613-77-5- Standard SMILES
COc1cc(C2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(C)cc(C)cc1C- InChIKey
RCKCIRVYGRBVFK-UHFFFAOYSA-N- Molecular formula
- C25H26N4O3
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.2004907
Names & identifiers
- Preferred name
- 6-Amino-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C25H26N4O3
- Molecular weight
- 430.49894
Names & synonyms
6-amino-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileAKOS000532903AKOS0039818386-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileST50020787AK-968/410175096-AMINO-4-{3-METHOXY-4-[(2,4,6-TRIMETHYLPHENYL)METHOXY]PHENYL}-3-METHYL-2H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
Database identifiers
- CAS
438613-77-5- PubChem CID
- 3151525
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
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Compound notes
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