4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
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Basic information
- CAS
491831-88-0- Standard SMILES
Cc1cc(C)n(C(=O)CCC(=O)O)n1- InChIKey
JOJPZJUVODJARC-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
- IUPAC
- 4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoic acid
- English name
- 1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI)
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid491831-88-04-(3,5-dimethylpyrazolyl)-4-oxobutanoic acidChemDiv3_0053624-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoic acidJOJPZJUVODJARC-UHFFFAOYSA-NHMS1488D16SBB027099STK418823AKOS001691544CCG-115975IDI1_023272
Show more names
1H-Pyrazole-1-butanoic acid, 3,5-dimethyl-γ-oxo-1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI)
EU-0016546ST45146047Butyric acid, 4-(3,5-dimethylpyrazol-1-yl)-4-oxo-
Database identifiers
- CAS
491831-88-0- PubChem CID
- 840135
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
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Compound notes
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