2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-N-(4-hydroxybutyl)-2H-indole-6-carboxamide
Basic information
- CAS
827316-83-6- Standard SMILES
O=C(NCCCCO)c1ccc2cc(-c3ccn[nH]3)[nH]c2c1- InChIKey
JFZRPPSETIACRD-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.14297583
Names & identifiers
- Preferred name
- 2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-N-(4-hydroxybutyl)-2H-indole-6-carboxamide
- IUPAC
- N-(4-hydroxybutyl)-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
Names & synonyms
827316-83-6SCHEMBL5757838DTXSID707408652-(1,2-Dihydro-3H-pyrazol-3-ylidene)-N-(4-hydroxybutyl)-2H-indole-6-carboxamide
Database identifiers
- CAS
827316-83-6- PubChem CID
- 136235166
- DTXSID
DTXSID70740865
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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