N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine

C24H25F3N4O — CID 139397556

IUPACN-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine
SMILESC=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)C1CNC(C)[C@@H]1C
InChIInChI=1S/C24H25F3N4O/c1-15-16(2)28-14-21(15)17(3)29-23-13-22(31(30-23)19-9-5-4-6-10-19)18-8-7-11-20(12-18)32-24(25,26)27/h4-13,15-16,21,28H,3,14H2,1-2H3,(H,29,30)/t15-,16?,21?/m0/s1
InChIKeyGVKDMYWDERMAED-FQWCMUAHSA-N
MW442.49 g/mol
LogP5.61
Rot. Bonds6

About N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine

N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine (PubChem CID 139397556) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine
PubChem CID139397556
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine
SMILESC=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)C1CNC(C)[C@@H]1C
InChIInChI=1S/C24H25F3N4O/c1-15-16(2)28-14-21(15)17(3)29-23-13-22(31(30-23)19-9-5-4-6-10-19)18-8-7-11-20(12-18)32-24(25,26)27/h4-13,15-16,21,28H,3,14H2,1-2H3,(H,29,30)/t15-,16?,21?/m0/s1
InChIKeyGVKDMYWDERMAED-FQWCMUAHSA-N
XLogP5.61
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 162540510
1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide
CID 130286593
(3R)-N-[1-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90657003
(3S)-N-[1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476956
1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine;(3R,4R)-N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 158410213
N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide
CID 89476909
(3R)-5-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90657001
(3R,4R)-4-methyl-5-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476636
(3R,4R)-N-[5-[3-[1,1-bis(phosphanyl)ethoxy]phenyl]-1-(3-phosphanylphenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 170052467
(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476932
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476715
(3R)-N-[1-(2-chlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-5-hydroxypyrrolidine-3-carboxamide
CID 162563462

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The IUPAC name of N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine (CID 139397556) is N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine.
What is the SMILES notation for N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The canonical SMILES for N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine is C=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)C1CNC(C)[C@@H]1C.
What is the InChIKey of N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The InChIKey is GVKDMYWDERMAED-FQWCMUAHSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15-16(2)28-14-21(15)17(3)29-23-13-22(31(30-23)19-9-5-4-6-10-19)18-8-7-11-20(12-18)32-24(25,26)27/h4-13,15-16,21,28H,3,14H2,1-2H3,(H,29,30)/t15-,16?,21?/m0/s1.
What are the key properties of N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine?
N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine has a molecular weight of 442.49 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine is sourced from PubChem (CID 139397556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).