Basic information
- CAS
1001519-21-6- Standard SMILES
Cc1c(Cl)c(C(=O)NCCN)nn1C- InChIKey
XXVRZFCHSGASIG-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4O
- Average molar mass
- 216.67 g/mol
- Monoisotopic mass
- 216.0777887
Names & identifiers
- Preferred name
- N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide
- IUPAC
- N-(2-aminoethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide
- English name
- N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide
- Molecular formula
- C8H13ClN4O
- Molecular weight
- 216.67
Names & synonyms
N-(2-aminoethyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide1001519-21-6MFCD05861690N-(2-aminoethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamideDTXSID401171272BQB51921N-(2-aminoethyl)-4-chloro-1,5-dimethyl-pyrazole-3-carboxamideSBB022745STK3499594-Chloro-1,5-dimethyl-1 H -pyrazole-3-carboxylic acid (2-amino-ethyl)-amide4-Chloro-1,5-dimethyl-1H-pyrazole-3-carboxylic acid (2-amino-ethyl)-amideAKOS000311380
Show more names
1H-Pyrazole-3-carboxamide, N-(2-aminoethyl)-4-chloro-1,5-dimethyl-
CS-0240785EN300-230082N-(2-aminoethyl)(4-chloro-1,5-dimethylpyrazol-3-yl)carboxamide4-chloro-1,5-dimethyl-1h-pyrazole-3-carboxylic acid(2-amino-ethyl)-amide4-chloro-1,5-dimethyl-1 h-pyrazole-3-carboxylic acid (2-amino-ethyl)-amide
Database identifiers
- CAS
1001519-21-6
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 368.2 · 368.2±42.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 13 · 13.00±0.46(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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