Pyrano(4,3-c)pyrazole, 2,4,6,7-tetrahydro-6,6-dimethyl-3-(4-(1-methylethoxy)phenyl)-2-phenyl-
Basic information
- CAS
130953-29-6- Standard SMILES
CC(C)Oc1ccc(-c2c3c(nn2-c2ccccc2)CC(C)(C)OC3)cc1- InChIKey
XWOJKEVORNWXTD-UHFFFAOYSA-N- Molecular formula
- C23H26N2O2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.19942808
Names & identifiers
- Preferred name
- Pyrano(4,3-c)pyrazole, 2,4,6,7-tetrahydro-6,6-dimethyl-3-(4-(1-methylethoxy)phenyl)-2-phenyl-
- IUPAC
- 6,6-dimethyl-2-phenyl-3-(4-propan-2-yloxyphenyl)-4,7-dihydropyrano[4,3-c]pyrazole
Names & synonyms
BRN 4763752Pyrano(4,3-c)pyrazole, 2,4,6,7-tetrahydro-6,6-dimethyl-3-(4-(1-methylethoxy)phenyl)-2-phenyl-130953-29-66,6-Dimethyl-3-(4-(1-methylethoxy)phenyl)-2-phenyl-2,4,6,7-tetrahydro-pyrano(4,3-c)pyrazoleDTXSID60156810RefChem:375885DTXCID90793016,6-Dimethyl-2-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Database identifiers
- CAS
130953-29-6- PubChem CID
- 3076375
- DTXSID
DTXSID60156810
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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