1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C14H17F3N6O — CID 120877420

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCn1ccnc1C1CNCCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H17F3N6O/c1-21-6-4-19-13(21)10-8-18-3-7-23(10)12(24)9-22-5-2-11(20-22)14(15,16)17/h2,4-6,10,18H,3,7-9H2,1H3
InChIKeyJSWZCFWQOQVNQJ-UHFFFAOYSA-N
MW342.33 g/mol
LogP0.81
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 120877420) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID120877420
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCn1ccnc1C1CNCCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H17F3N6O/c1-21-6-4-19-13(21)10-8-18-3-7-23(10)12(24)9-22-5-2-11(20-22)14(15,16)17/h2,4-6,10,18H,3,7-9H2,1H3
InChIKeyJSWZCFWQOQVNQJ-UHFFFAOYSA-N
XLogP0.81
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120878181
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120880192
5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 120877268
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877315
2-(2,5-dimethylphenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879961
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 120877420) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cn1ccnc1C1CNCCN1C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is JSWZCFWQOQVNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-21-6-4-19-13(21)10-8-18-3-7-23(10)12(24)9-22-5-2-11(20-22)14(15,16)17/h2,4-6,10,18H,3,7-9H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 342.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 120877420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).