1-(1-Methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylic acid
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Basic information
- CAS
1542200-41-8- Standard SMILES
Cn1cc(-n2cc(C(=O)O)c3ccccc32)cn1- InChIKey
DXVGUPZNRSIJPL-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- 1-(1-Methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylic acid
- IUPAC
- 1-(1-methylpyrazol-4-yl)indole-3-carboxylic acid
- English name
- 1-(1-methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylic acid
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
1-(1-Methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylic acid1542200-41-81-(1-methylpyrazol-4-yl)indole-3-carboxylic acidSCHEMBL17652247SLC20041MFCD30185785AKOS027429998AS-70241W12595F530861-1(1-methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylic acid1-(1-Methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylicacid
Show more names
1H-Indole-3-carboxylic acid, 1-(1-methyl-1H-pyrazol-4-yl)-1-(1-methyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylic acid(WXC04176)
Database identifiers
- CAS
1542200-41-8- PubChem CID
- 86708890
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 395.6 · 395.6±34.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 3.74 · 3.74±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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