1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C20H23F3N4O2 — CID 1129747

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1
InChIInChI=1S/C20H23F3N4O2/c1-29-17-8-3-2-6-16(17)25-9-11-26(12-10-25)18(28)13-27-15-7-4-5-14(15)19(24-27)20(21,22)23/h2-3,6,8H,4-5,7,9-13H2,1H3
InChIKeySDKOLSROYKHQIU-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 1129747) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
PubChem CID1129747
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1
InChIInChI=1S/C20H23F3N4O2/c1-29-17-8-3-2-6-16(17)25-9-11-26(12-10-25)18(28)13-27-15-7-4-5-14(15)19(24-27)20(21,22)23/h2-3,6,8H,4-5,7,9-13H2,1H3
InChIKeySDKOLSROYKHQIU-UHFFFAOYSA-N
XLogP2.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
CID 655021
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 146152656
1-(2,3-Dihydro-1,4-benzoxazin-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 168300273
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)(4,5,6-trihydrocyclopenta[2,1-d]pyrazolyl)]acetamide
CID 1129757
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 35334938
1-[2-(4-Methoxyphenyl)pyrrolidin-1-YL]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethan-1-one
CID 50747280
4-(4-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethyl-1H-pyrazol-1-yl)acetyl]piperazine
CID 70712632
N-({5-[2-(trifluoromethoxy)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
CID 70717667
4-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethyl-1H-pyrazol-1-yl)acetyl]piperazine
CID 70727525
1-(2-methoxyphenyl)-2,2-dimethyl-4-[(5-methyl-1H-pyrazol-1-yl)acetyl]piperazine
CID 70765687
4-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-(2-methoxyphenyl)-2,2-dimethylpiperazine
CID 70769340

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 1129747) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The InChIKey is SDKOLSROYKHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-29-17-8-3-2-6-16(17)25-9-11-26(12-10-25)18(28)13-27-15-7-4-5-14(15)19(24-27)20(21,22)23/h2-3,6,8H,4-5,7,9-13H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 408.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 1129747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).