2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

C19H24F2N4O2 — CID 120733863

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C19H24F2N4O2/c1-12-15(13(2)25(23-12)19(20)21)10-18(26)24-9-8-22-11-16(24)14-6-4-5-7-17(14)27-3/h4-7,16,19,22H,8-11H2,1-3H3
InChIKeyNCCFMSSQTKLBPM-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 120733863) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID120733863
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C19H24F2N4O2/c1-12-15(13(2)25(23-12)19(20)21)10-18(26)24-9-8-22-11-16(24)14-6-4-5-7-17(14)27-3/h4-7,16,19,22H,8-11H2,1-3H3
InChIKeyNCCFMSSQTKLBPM-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120732889
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
2-(2,3-difluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735387
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120734995
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 120733863) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1C1CNCCN1C(=O)Cc1c(C)nn(C(F)F)c1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is NCCFMSSQTKLBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-12-15(13(2)25(23-12)19(20)21)10-18(26)24-9-8-22-11-16(24)14-6-4-5-7-17(14)27-3/h4-7,16,19,22H,8-11H2,1-3H3.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 378.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).