6-Amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
300392-53-4- Standard SMILES
COCc1n[nH]c2c1C(c1ccccc1OC)C(C#N)=C(N)O2- InChIKey
NSVUTDRGIZQVRW-UHFFFAOYSA-N- Molecular formula
- C16H16N4O3
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.12224039
Names & identifiers
- Preferred name
- 6-Amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C16H16N4O3
- Molecular weight
- 312.32
Names & synonyms
6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile300392-53-46-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileMLS000027073CHEMBL1479534HMS2273N04STK699939AKOS000598291AKOS005536871AKOS021990639CCG-106743ST025097
Show more names
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-3-(methoxymethyl)-4-(2-methoxyphenyl)-
AK-777/11656135SR-01000434771SR-01000434771-16-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbo nitrile
Database identifiers
- CAS
300392-53-4- PubChem CID
- 647912
- ChEMBL
CHEMBL1479534
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 551.2 · 551.2±50.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 10.44 · 10.44±0.70(Predicted)
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Compound notes
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