N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide

C24H25F3N4O — CID 155964422

IUPACN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCN(c4ccccc4)C3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C24H25F3N4O/c1-16-12-17(2)31(29-16)21-9-8-18(22(13-21)24(25,26)27)14-28-23(32)19-10-11-30(15-19)20-6-4-3-5-7-20/h3-9,12-13,19H,10-11,14-15H2,1-2H3,(H,28,32)
InChIKeyJXZLDAVDZBVCAJ-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.65
Rot. Bonds5

About N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide

N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 155964422) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID155964422
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCN(c4ccccc4)C3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C24H25F3N4O/c1-16-12-17(2)31(29-16)21-9-8-18(22(13-21)24(25,26)27)14-28-23(32)19-10-11-30(15-19)20-6-4-3-5-7-20/h3-9,12-13,19H,10-11,14-15H2,1-2H3,(H,28,32)
InChIKeyJXZLDAVDZBVCAJ-UHFFFAOYSA-N
XLogP4.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182599
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CID 119752914
(2S)-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 95226779
1-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine
CID 110918505
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119752904
2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119305736
(2S)-2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 119752936
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60589505
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-2-methyl-5-nitrobenzamide
CID 60595469
1-[2-methyl-6-(methylamino)-4-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655311
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide (CID 155964422) is N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)C3CCN(c4ccccc4)C3)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JXZLDAVDZBVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-16-12-17(2)31(29-16)21-9-8-18(22(13-21)24(25,26)27)14-28-23(32)19-10-11-30(15-19)20-6-4-3-5-7-20/h3-9,12-13,19H,10-11,14-15H2,1-2H3,(H,28,32).
What are the key properties of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide?
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155964422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).