1H-Pyrazole-4-methanamine, 3-methyl-5-(1H-pyrrol-3-yl)-
Basic information
- CAS
1374996-66-3- Standard SMILES
Cc1[nH]nc(-c2cc[nH]c2)c1CN- InChIKey
FYPJBRBVDDUVQI-UHFFFAOYSA-N- Molecular formula
- C9H12N4
- Average molar mass
- 176.22 g/mol
- Monoisotopic mass
- 176.1061964
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-methanamine, 3-methyl-5-(1H-pyrrol-3-yl)-
- IUPAC
- [5-methyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]methanamine
Names & synonyms
DTXSID7012040841H-Pyrazole-4-methanamine, 3-methyl-5-(1H-pyrrol-3-yl)-1-[3-Methyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]methanamine1374996-66-3
Database identifiers
- CAS
1374996-66-3- PubChem CID
- 136306244
- DTXSID
DTXSID701204084
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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