Basic information
- CAS
664972-03-6- Standard SMILES
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2C1c1ccccc1Cl- InChIKey
NLNZDFCCCCYWAI-UHFFFAOYSA-N- Molecular formula
- C25H23ClN4O
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.1560391
Names & identifiers
- Preferred name
- 6-Amino-4-(2-chlorophenyl)-3-(4-cyclohexylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(2-chlorophenyl)-3-(4-cyclohexylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-(2-chlorophenyl)-3-(4-cyclohexylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C25H23ClN4O
- Molecular weight
- 430.92932
Names & synonyms
6-amino-4-(2-chlorophenyl)-3-(4-cyclohexylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile664972-03-6AJ-292/419427676-amino-4-(2-chlorophenyl)-3-(4-cyclohexylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Database identifiers
- CAS
664972-03-6- PubChem CID
- 4448226
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 718
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…