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

C25H27F3N4O — CID 55735271

IUPAC1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC3CCN(Cc4cccc(C)c4)CC3)c2C(F)(F)F)cc1
InChIInChI=1S/C25H27F3N4O/c1-17-6-8-21(9-7-17)32-23(25(26,27)28)22(15-29-32)24(33)30-20-10-12-31(13-11-20)16-19-5-3-4-18(2)14-19/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,30,33)
InChIKeyHFUBTGIUTQTSKN-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.90
Rot. Bonds5

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

1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55735271) has the molecular formula C25H27F3N4O and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55735271
Molecular FormulaC25H27F3N4O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Name1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC3CCN(Cc4cccc(C)c4)CC3)c2C(F)(F)F)cc1
InChIInChI=1S/C25H27F3N4O/c1-17-6-8-21(9-7-17)32-23(25(26,27)28)22(15-29-32)24(33)30-20-10-12-31(13-11-20)16-19-5-3-4-18(2)14-19/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,30,33)
InChIKeyHFUBTGIUTQTSKN-UHFFFAOYSA-N
XLogP4.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55946015
cis-(1S,3R)-3-[[1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676889
1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 124844447
1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112843324
4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55613253
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55735271) is 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NC3CCN(Cc4cccc(C)c4)CC3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HFUBTGIUTQTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O/c1-17-6-8-21(9-7-17)32-23(25(26,27)28)22(15-29-32)24(33)30-20-10-12-31(13-11-20)16-19-5-3-4-18(2)14-19/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,30,33).
What are the key properties of 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55735271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).