Basic information
- CAS
30707-77-8- Standard SMILES
Nc1ccc(N2N=C(N3CCCC3)CC2=O)cc1- InChIKey
JRZNCVVXDWABEX-UHFFFAOYSA-N- Molecular formula
- C13H16N4O
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.13241115
Names & identifiers
- Preferred name
- 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone
- IUPAC
- 2-(4-aminophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one
- English name
- 1-(4-Aminophenyl)-3-(1-pyrrolidino)-5-pyrazolone
- Molecular formula
- C13H16N4O
- Molecular weight
- 244.29
Names & synonyms
30707-77-83H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)-2-Pyrazolin-5-one, 1-(p-aminophenyl)-3-(1-pyrrolidinyl)-0E91VA2HX9EINECS 250-304-4NSC 340301NSC-3403012-(4-Aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)-3H-pyrazol-3-oneDTXSID40675691-(p-Aminophenyl)-3-pyrrolidino-5-pyrazoloneRefChem:428208DTXCID1038246
Show more names
1-(P-AMINOPHENYL)-3-(1-PYRROLIDINO)-5-PYRAZOLO1-(P-AMINOPHENYL)-3-(1-PYRROLIDINO)-5-PYRAZOLONE1-(P-AMINOPHENYL)-3-(1-PYRROLIDINO)-5-PYRRAZOLONE1-(4-AMINO-PHENYL)-3-PYRROLIDINO-PYRAZOLINE-5-ONE1-(4-Aminophenyl)-3-pyrrolidino-2-pyrazolin-5-one1-(p-Aminophenyl)-3-(1-pyrrolidinyl)-2-pyrazolin-5-one
250-304-41-(4-Aminophenyl)-3-(1-pyrrolidino)-5-pyrazolone2-(4-aminophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-oneMLS0031160201-(4-Aminophenyl)-3-(pyrrolidin-1-yl)-1H-pyrazol-5(4H)-one1-(4-aminophenyl)-3-(pyrrolidin-1-yl)-4,5-dihydro-1H-pyrazol-5-oneNSC340301UNII-0E91VA2HX9
Database identifiers
- CAS
30707-77-8- PubChem CID
- 100660
- DTXSID
DTXSID4067569- ChEMBL
CHEMBL1870388- UNII
- 0E91VA2HX9
- EC Number
- 250-304-4
- Nikkaji
- J287.381H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Physicochemical properties
- Boiling point
- 428.1 · 428.1±47.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 5.94 · 5.94±0.50(Predicted)
- FDA UNII
- 0 E91VA2HX9 · 0E91VA2HX9
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)- (30707-77-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)-: INACTIVE
Suppliers9 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
ORGANICA+49 3494636389 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…