1-(1H-Pyrazol-5-yl)methanamine
Basic information
- CAS
37599-58-9- Standard SMILES
NCc1ccn[nH]1- InChIKey
IYSPNYLFKSTATA-UHFFFAOYSA-N- Molecular formula
- C4H7N3
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.06399722
Overview
See also: 1H-pyrazol-3-ylmethanamine (annotation moved to).
Names & identifiers
- Preferred name
- 1-(1H-Pyrazol-5-yl)methanamine
- IUPAC
- 1H-pyrazol-5-ylmethanamine
- English name
- 3-(Aminomethyl)pyrazole
- Molecular formula
- C4H7N3
- Molecular weight
- 97.12
Names & synonyms
1-(1H-pyrazol-5-yl)methanamineDTXSID20428080RefChem:1053793DTXCID6037891437599-58-9(1h-pyrazol-3-yl)methanamine3-(Aminomethyl)pyrazolec-(1h-pyrazol-3-yl)methylamine1H-Pyrazole-3-methanamine1H-pyrazol-5-ylmethanamineC-(1H-Pyrazol-3-yl)-methylamineC4H7N3
Show more names
AKOS PAO-04821H pyrazole-3-methylamine2H-PYRAZOL-3-YL-METHYLAMINE1-（1H-Pyrazol-3-yl）methanamine1-(1H-PYRAZOL-3-YL)METHANAMIDE1-(1H-Pyrazol-3-yl)MethylaMineC-(2H-PYRAZOL-3-YL)-METHYLAMINE
1-(1h-pyrazol-3-yl)methanamineMFCD034225321H-pyrazol-3-ylmethylamine2H-Pyrazol-3-ylmethylamine(1H-PYRAZOL-5-YL)METHANAMINEAKOS003672580AC-63901H-pyrazol-5-ylmethylamine
Database identifiers
- CAS
37599-58-9- PubChem CID
- 7147653
- DTXSID
DTXSID20428080- EC Number
- 675-452-0
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54.9
Physicochemical properties
- Boiling point
- 110 · 110-113 °C(Press: 2 Torr)
- Density
- 1.199 · 1.199
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.24 · 14.24±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C4H7N3/c5-3-4-1-2-6-7-4/h1-2H,3,5H2,(H,6,7)
- InChIKey
- IYSPNYLFKSTATA-UHFFFAOYSA-N
- SMILES
- N1C=CC(CN)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
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
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Applications
Uses3-(Aminomethyl)pyrazole was used in preparation of pyridinyl- and sulfonylphenyl-substituted ureas as inhibitors of nicotinamide phosphoribosyltransferase.
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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