Basic information
- CAS
29211-49-2- Standard SMILES
CC1=NN(c2ccccn2)C(=O)C1- InChIKey
YRMYSKQWKJIJMR-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
- IUPAC
- 5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one
- English name
- 2,4-dihydro-5-methyl-2-(2-pyridinyl)-3H-Pyrazol-3-one
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
29211-49-23-Methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-oneRefChem:503465843-133-75-methyl-2-(pyridin-2-yl)-2,4-dihydro-3H-pyrazol-3-one5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one2,4-dihydro-5-methyl-2-(2-pyridinyl)-3H-Pyrazol-3-oneCHEMBL374252SCHEMBL38866812,4-dihydro-5-methyl-2-(pyridin-2-yl)-3H-pyrazol-3-oneYRMYSKQWKJIJMR-UHFFFAOYSA-NEBA21149
Show more names
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-pyridinyl)-
BDBM50605275EBC-13315AKOS002309898DA-072663-methyl-1-(2-pyridyl)-2-pyrazolin-5-one5-methyl-2-(2-pyridyl)-4H-pyrazol-3-oneST50767850EN300-312302
Database identifiers
- CAS
29211-49-2- PubChem CID
- 667652
- ChEMBL
CHEMBL374252- EC Number
- 843-133-7
- Nikkaji
- J554.555B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 99 · 99-101 °C
- Boiling point
- 365.7 · 365.7±15.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.57 · 3.57±0.19(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers8 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
卡斯诺化工有限公司86-13710190520 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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