Basic information
- CAS
13124-17-9- Standard SMILES
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1- InChIKey
NPLZMVKJNPOHRL-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N2O
- Average molar mass
- 243.09 g/mol
- Monoisotopic mass
- 242.0013683
Names & identifiers
- Preferred name
- 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- IUPAC
- 2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
- English name
- 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- Molecular formula
- C10H8Cl2N2O
- Molecular weight
- 243.09
Names & synonyms
13124-17-92-(3,4-Dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-oneEINECS 236-055-4DTXSID20156977RefChem:84149DTXCID1079468236-055-41-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one1-(3,4-dichlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one3H-Pyrazol-3-one, 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-
Show more names
1-（3.4-Dichlorophenyl）-3-Methyl-5-Pyazolone1-(3,4-Dichlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one - [D92855]
1-(3,4-Dichlorophenyl)-3-methyl-5-pyrazolone1-(3,4-Dichlorophenyl)-3-methyl-5(4H)-pyrazoloneSCHEMBL4662916CHEMBL5494621NPLZMVKJNPOHRL-UHFFFAOYSA-NNAA12417MFCD00849838AKOS000289053
Database identifiers
- CAS
13124-17-9- PubChem CID
- 83160
- DTXSID
DTXSID20156977- ChEMBL
CHEMBL5494621- EC Number
- 236-055-4
- Nikkaji
- J182.616F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 164 °C · 164 °C
- Boiling point
- 426.8 · 426.8±35.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 1.72 · 1.72±0.50(Predicted)
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京聚柏生物医药科技有限公司13585203734 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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