(5-Chloropyrazolo(1,5-a)Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine
Basic information
- CAS
771498-73-8- Standard SMILES
CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1- InChIKey
LVNXHNRYPADEAD-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O2S
- Average molar mass
- 322.77 g/mol
- Monoisotopic mass
- 322.0291245
Names & identifiers
- Preferred name
- (5-Chloropyrazolo(1,5-a)Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine
- IUPAC
- 5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Names & synonyms
XNE9CK2X79(5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE771498-73-8DTXSID40415331(5-Chloropyrazolo(1,5-a)pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine5-Chloranyl-N-(4-methylsulfonylphenyl)pyrazolo(1,5-a)pyrimidin-7-aminePyrazolo(1,5-a)pyrimidin-7-amine, 5-chloro-N-(4-(methylsulfonyl)phenyl)-RefChem:403953DTXCID90366182UNII-XNE9CK2X79SCHEMBL4318891BDBM11442
Show more names
DB02963PD007527NS00070649Q270939365-chloro-N-(4-methanesulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine5-Chloro-N-[4-(methanesulfonyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine5-chloro-N-[4-(methylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
Database identifiers
- CAS
771498-73-8- PubChem CID
- 5287989
- DTXSID
DTXSID40415331- UNII
- XNE9CK2X79
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Compound notes
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