5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

C25H26F4N4O — CID 55946015

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H26F4N4O/c1-2-23-22(15-30-33(23)21-8-6-19(26)7-9-21)24(34)31-20-10-12-32(13-11-20)16-17-4-3-5-18(14-17)25(27,28)29/h3-9,14-15,20H,2,10-13,16H2,1H3,(H,31,34)
InChIKeyVYUSTGQIZDBSGH-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.99
Rot. Bonds6

About 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 55946015) has the molecular formula C25H26F4N4O and a molecular weight of 474.50 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID55946015
Molecular FormulaC25H26F4N4O
Molecular Weight474.50 g/mol
Exact Mass474.20
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H26F4N4O/c1-2-23-22(15-30-33(23)21-8-6-19(26)7-9-21)24(34)31-20-10-12-32(13-11-20)16-17-4-3-5-18(14-17)25(27,28)29/h3-9,14-15,20H,2,10-13,16H2,1H3,(H,31,34)
InChIKeyVYUSTGQIZDBSGH-UHFFFAOYSA-N
XLogP4.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55951612
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55735271
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55949549
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 60615723
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31904438

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 55946015) is 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is VYUSTGQIZDBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O/c1-2-23-22(15-30-33(23)21-8-6-19(26)7-9-21)24(34)31-20-10-12-32(13-11-20)16-17-4-3-5-18(14-17)25(27,28)29/h3-9,14-15,20H,2,10-13,16H2,1H3,(H,31,34).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 55946015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).