(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanamine
Basic information
- CAS
1257848-41-1- Standard SMILES
Cc1n[nH]c(C)c1C(N)c1ccccc1- InChIKey
CGCLUEUNHMVTPB-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
Names & identifiers
- Preferred name
- (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanamine
- IUPAC
- (3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanamine
- English name
- C-(3,5-Dimethyl-1H-pyrazol-4-yl)-C-phenyl-methylamine
- Molecular formula
- C12H15N3
- Molecular weight
- 201.27
Names & synonyms
(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanamine(3,5-dimethylpyrazol-4-yl)phenylmethylamine(3,5-dimethyl-1H-pyrazol-4-yl)(phenyl)methanamineSCHEMBL4223694SBB011013AKOS005264002ST0732911039167-57-1TIMTEC-BB SBB011013ASINEX-REAG BAS 10143493C-(3,5-Dimethyl-1H-pyrazol-4-yl)-C-phenyl-methylamineC-(3,5-Dimethyl-1H-pyrazol-4-yl)-C-phenyl-methylamine hydrochloride
Database identifiers
- CAS
1257848-41-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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