(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol

HCID 2776366CAS 153912-60-8

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(CO)nn1C
InChIKey: XJBMHIHXRARJJS-UHFFFAOYSA-N
Molecular formula: C6H10N2O
Average molar mass: 126.16 g/mol
Monoisotopic mass: 126.07931294

Names & identifiers

Preferred name: (1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
IUPAC: (1,5-dimethylpyrazol-3-yl)methanol
English name: (1,5-Dimethyl-1H-pyrazol-3-yl)methanol
Molecular formula: C6H10N2O
Molecular weight: 126.16

Names & synonyms

153912-60-8(1,5-Dimethyl-1H-Pyrazol-3-Yl)MethanolDTXSID90380020RefChem:204378DTXCID80331046835-224-51,5-Dimethyl-1H-pyrazol-3-yl-methanol(1,5-dimethylpyrazol-3-yl)methanolMFCD036597021,5-Dimethyl-1H-pyrazole-3-methanol3-HYDROXYMETHYL-1,5-DIMETHYL-1H-PYRAZOLESCHEMBL243540

Show more names

AKOS PAO-00601H-Pyrazole-3-methanol, 1,5-dimethyl-1,5-DIMETHYL-3-(HYDROXYMETHYL)PYRAZOLE1H-Pyrazole-3-methanol,1,5-dimethyl-(9CI)1,5-Dimethyl-3-(hydroxymethyl)-1H-pyrazole3-(Hydroxymethyl)-1,5-dimethyl-1H-pyrazole(1,5-Dimethyl-1H-pyrazol-3-yl)methanol ,97%

CHEMBL45872191,5-dimethylpyrazole-3-methanol1,5-dimethylpSCHEMBL243539orb3030342XJBMHIHXRARJJS-UHFFFAOYSA-N1,5 -dimethylpyrazole-3-methanolHMS5107O17

Database identifiers

CAS: 153912-60-8
PubChem CID: 2776366
DTXSID: DTXSID90380020
ChEMBL: CHEMBL4587219
EC Number: 835-224-5
Nikkaji: J1.343.968K

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 50 °C · 50 °C
Boiling point: 118 °C · 118°C 2mm
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 13.63 · 13.63±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-37/39
Hazard Note: Irritant
HS Code: 29331990 · 29331990

Safety & regulation

GHS classification

GHS Classification · 4 items

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.