Cmppe

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Basic information

CAS: 841253-81-4
Standard SMILES: Cc1cc(N2CCCCC2CCO)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIKey: TZWSGOPCLUTFBZ-UHFFFAOYSA-N
Molecular formula: C20H23ClN4O
Average molar mass: 370.9 g/mol
Monoisotopic mass: 370.1560391

Names & identifiers

Preferred name: Cmppe
IUPAC: 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
English name: 2-(1-(2-(4-chlorophenyl)-5-Methylpyrazolo[1,5-a]pyriMidin-7-yl)piperidin-2-yl)ethanol
Molecular formula: C20H23ClN4O
Molecular weight: 370.88

Names & synonyms

CMPPERefChem:577786110-686-4841253-81-42-(1-(2-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl)ethanol2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol2-{1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-2-piperidinyl}ethanolC20H23ClN4O2-{1-[2-(4-CHLOROPHENYL)-5-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL]PIPERIDIN-2-YL}ETHANOLMFCD05710220orb2945654CHEMBL5425093

Show more names

2-Piperidineethanol, 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-

SCHEMBL21749184DTXSID00390498GLXC-01982CMPPE, >=95% (HPLC)STX103413AKOS016011328DS-6246DB-147894

Database identifiers

CAS: 841253-81-4
PubChem CID: 3229907
DTXSID: DTXSID00390498
ChEMBL: CHEMBL5425093
EC Number: 110-686-4

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 459

Physicochemical properties

storage temp.: 2 · 2-8°C
solubility: 5 mg/mL, · DMSO: 5mg/mL, clear (warmed)
form: powder
color: white to light brown
InChI: 1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKey: TZWSGOPCLUTFBZ-UHFFFAOYSA-N
SMILES: ClC(C=C1)=CC=C1C2=NN(C(N3C(CCO)CCCC3)=CC(C)=N4)C4=C2
UNSPSC Code: 12352200 · 12352200
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications

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 · 4 items

Warning

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

P264, P270, P301+P317, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesCMPPE is a GABAB receptor positive allosteric modulator (PAM) that inhibits alcohol self-administration and reinstatement behavior in rats[1].

Related reactions

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Compound notes

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