Basic information
- CAS
303106-80-1- Standard SMILES
Cn1cccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1- InChIKey
MMCDFYRPLROSNM-VCHYOVAHSA-N- Molecular formula
- C16H14ClN5O
- Average molar mass
- 327.77 g/mol
- Monoisotopic mass
- 327.0886878
Overview
See other relationships...
Names & identifiers
- Preferred name
- N'-(4-Chlorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
- IUPAC
- N-[(E)-(4-chlorophenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
- English name
- N'-[(1E)-(4-chlorophenyl)methylidene]-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
- Molecular formula
- C16H14ClN5O
- Molecular weight
- 327.76826
Names & synonyms
303106-80-1N'-(4-Chlorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazideN'-[(E)-(4-chlorophenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazideMLS001219764CHEMBL2003153DTXSID401323988AKOS000558337N-[(E)-(4-chlorophenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamideSMR000611123ST50256493Z567979695-(1-Methyl-1H-pyrrol-2-yl)-2H-pyrazole-3-carboxylic acid (4-chloro-benzylidene)-hydrazide
Show more names
N'-(4-CHLOROBENZYLIDENE)-3-(1-ME-1H-PYRROL-2-YL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-(4-CHLOROBENZYLIDENE)-3-(1-ME-1H-PYRROL-2-YL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-[(1E)-(4-chlorophenyl)methylidene]-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
N-[(1E)-2-(4-chlorophenyl)-1-azavinyl][3-(1-methylpyrrol-2-yl)pyrazol-5-yl]car boxamide
Database identifiers
- CAS
303106-80-1- PubChem CID
- 6900529
- DTXSID
DTXSID401323988- ChEMBL
CHEMBL2003153
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…