2,5-dimethyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one

HCID 736199

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Basic information

CAS: 27166-46-7
Standard SMILES: Cc1cc(=O)n2[nH]c(C)cc2n1
InChIKey: LGQMDCIHBYTQJU-UHFFFAOYSA-N
Molecular formula: C8H9N3O
Average molar mass: 163.18 g/mol
Monoisotopic mass: 163.07456191

Names & identifiers

Preferred name: 2,5-dimethyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
IUPAC: 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
English name: 2,5-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-OL
Molecular formula: C8H9N3O
Molecular weight: 163.17656

Names & synonyms

2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol27166-46-72,5-dimethyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one2,5-dimethylpyrazolo(1,5-a)pyrimidin-7-ol2,5-dimethyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-oneRefChem:444558696-596-0962-728-398488-10-92,5-Dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one2,5-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDIN-7-ONE

Show more names

Pyrazolo[1,5-a]pyrimidin-7-ol, 2,5-dimethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol (Related Reference)

2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-oneMFCD00210153MFCD087296012,5-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-ONE2,5-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-7-one2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(1h)-oneMaybridge1_004141MLS000686285

Database identifiers

CAS: 27166-46-7、98488-10-9
PubChem CID: 736199
DTXSID: DTXSID90913256
ChEMBL: CHEMBL4592091
EC Number: 696-596-0、962-728-3
Nikkaji: J626.670C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 338

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H332-H312
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H332-H312
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312