7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
Basic information
- CAS
312922-05-7- Standard SMILES
Cc1cc(-c2ccccc2)nc2cc(C(=O)O)nn12- InChIKey
WSVXLVVUFWLVNB-UHFFFAOYSA-N- Molecular formula
- C14H11N3O2
- Average molar mass
- 253.26 g/mol
- Monoisotopic mass
- 253.0851266
Names & identifiers
- Preferred name
- 7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
- IUPAC
- 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- English name
- 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- Molecular formula
- C14H11N3O2
- Molecular weight
- 253.26
Names & synonyms
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid312922-05-77-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acidRefChem:546844878-972-8MFCD009817577-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acidpyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-methyl-5-phenyl-Oprea1_091824SCHEMBL4731862HMS1648A20ALBB-009898
Show more names
pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-methyl-5-ph7-methyl-5-phenyl-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
STK506121AKOS004910972LS-03323SY086030CS-0320428H25413SR-01000596957SR-01000596957-1
Database identifiers
- CAS
312922-05-7- PubChem CID
- 776256
- EC Number
- 878-972-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -2.57 · -2.57±0.41(Predicted)
- form
- solid
- InChI
- 1S/C14H11N3O2/c1-9-7-11(10-5-3-2-4-6-10)15-13-8-12(14(18)19)16-17(9)13/h2-8H,1H3,(H,18,19)
- InChIKey
- WSVXLVVUFWLVNB-UHFFFAOYSA-N
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391-P501
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- Precautionary statements
- P264-P273-P280-P337+P313-P391-P501
Suppliers
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Related reactions
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Compound notes
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