N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C25H27F3N4O2 — CID 43051833

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)N2CCCC2)cc1
InChIInChI=1S/C25H27F3N4O2/c1-17-5-9-19(10-6-17)32-23(25(26,27)28)21(15-30-32)24(33)29-16-22(31-13-3-4-14-31)18-7-11-20(34-2)12-8-18/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,29,33)
InChIKeyYTDCSQAGLXUTEB-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.78
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 43051833) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID43051833
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)N2CCCC2)cc1
InChIInChI=1S/C25H27F3N4O2/c1-17-5-9-19(10-6-17)32-23(25(26,27)28)21(15-30-32)24(33)29-16-22(31-13-3-4-14-31)18-7-11-20(34-2)12-8-18/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,29,33)
InChIKeyYTDCSQAGLXUTEB-UHFFFAOYSA-N
XLogP4.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43051896
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46552744
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55613253
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 51935366
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[3-(methylamino)propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119433288
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46666819
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 43051833) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(C(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YTDCSQAGLXUTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-17-5-9-19(10-6-17)32-23(25(26,27)28)21(15-30-32)24(33)29-16-22(31-13-3-4-14-31)18-7-11-20(34-2)12-8-18/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43051833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).