6-Amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
332883-97-3- Standard SMILES
Cc1[nH]nc2c1C(c1ccc(-c3ccc(Cl)c(Cl)c3)o1)C(C#N)=C(N)O2- InChIKey
NIRYZDSXUBEKQD-UHFFFAOYSA-N- Molecular formula
- C18H12Cl2N4O2
- Average molar mass
- 387.2 g/mol
- Monoisotopic mass
- 386.033731
Names & identifiers
- Preferred name
- 6-Amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Names & synonyms
6-amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileOprea1_409532Oprea1_565513DTXSID901113322MFCD02051183STK025750AKOS000575508AKOS022084000332883-97-3ZINC000018284802ZINC000018284806ST51024315
Show more names
AG-690/40720654N#CC1=C(N)Oc2c(C1c1ccc(o1)c1ccc(c(c1)Cl)Cl)c(C)n(nH)2CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl6AMINO4(5(34DICHLOROPHENYL)(2FURYL))3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE6AMINO4(5(34DICHLOROPHENYL)FURAN2YL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE6AMINO4(5(34DICHLOROPHENYL)FURAN2YL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE(4R)6AMINO4(5(34DICHLOROPHENYL)FURAN2YL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE(4S)6AMINO4(5(34DICHLOROPHENYL)FURAN2YL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
Database identifiers
- CAS
332883-97-3- PubChem CID
- 3137564
- DTXSID
DTXSID901113322
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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