4-[5-methyl-4-(4-pyridinylmethyl)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
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Basic information
- CAS
956193-98-9- Standard SMILES
Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1- InChIKey
DCPVTLDYHLTUSX-UHFFFAOYSA-N- Molecular formula
- C18H17N7
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.15454357
Names & identifiers
- Preferred name
- 4-[5-methyl-4-(4-pyridinylmethyl)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
- IUPAC
- 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
- English name
- 4-[5-METHYL-4-(4-PYRIDINYLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]-1-PHENYL-1H-PYRAZOL-5-AMINE
- Molecular formula
- C18H17N7
- Molecular weight
- 331.37
Names & synonyms
956193-98-94-[5-methyl-4-(4-pyridinylmethyl)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine4-{5-methyl-4-[(pyridin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-1H-pyrazol-5-amineMFCD033055494-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-2-phenylpyrazol-3-amineMLS000546993CHEMBL1464066DTXSID501128369HMS2413K15C18H17N7AKOS005086700SMR000180191
Show more names
1H-Pyrazol-5-amine, 4-[5-methyl-4-(4-pyridinylmethyl)-4H-1,2,4-triazol-3-yl]-1-phenyl-4-[5-METHYL-4-(4-PYRIDINYLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]-1-PHENYL-1H-PYRAZOL-5-YLAMINE
2T-02244-[5-methyl-4-(4-pyridylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-amine
Database identifiers
- CAS
956193-98-9- PubChem CID
- 1472689
- DTXSID
DTXSID501128369- ChEMBL
CHEMBL1464066
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 631.9 · 631.9±65.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 5.33 · 5.33±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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