[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C25H25F3N4O2 — CID 55512361

IUPAC[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H25F3N4O2/c1-34-22-18-32(21-11-5-10-20(17-21)25(26,27)28)29-23(22)24(33)31-15-13-30(14-16-31)12-6-9-19-7-3-2-4-8-19/h2-11,17-18H,12-16H2,1H3/b9-6+
InChIKeyFNBFJTSJTGLAJZ-RMKNXTFCSA-N
MW470.50 g/mol
LogP4.37
Rot. Bonds6

About [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 55512361) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID55512361
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H25F3N4O2/c1-34-22-18-32(21-11-5-10-20(17-21)25(26,27)28)29-23(22)24(33)31-15-13-30(14-16-31)12-6-9-19-7-3-2-4-8-19/h2-11,17-18H,12-16H2,1H3/b9-6+
InChIKeyFNBFJTSJTGLAJZ-RMKNXTFCSA-N
XLogP4.37
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55685195
4-hydroxy-1-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 166225003
[4-(azepan-1-ylmethyl)piperidin-1-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 55980227
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 100758159
2-[4-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55512346
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 56807375
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76869145
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 55511006
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 55947639

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 55512361) is [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is FNBFJTSJTGLAJZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-34-22-18-32(21-11-5-10-20(17-21)25(26,27)28)29-23(22)24(33)31-15-13-30(14-16-31)12-6-9-19-7-3-2-4-8-19/h2-11,17-18H,12-16H2,1H3/b9-6+.
What are the key properties of [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 470.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55512361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).