1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide

C22H25F3N4O2 — CID 90614898

IUPAC1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)cc1
InChIInChI=1S/C22H25F3N4O2/c1-14-6-8-16(9-7-14)28-13-15(12-19(28)30)21(31)26-10-11-29-18-5-3-2-4-17(18)20(27-29)22(23,24)25/h6-9,15H,2-5,10-13H2,1H3,(H,26,31)
InChIKeyUCEWNXKOEGGJRJ-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 90614898) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID90614898
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)cc1
InChIInChI=1S/C22H25F3N4O2/c1-14-6-8-16(9-7-14)28-13-15(12-19(28)30)21(31)26-10-11-29-18-5-3-2-4-17(18)20(27-29)22(23,24)25/h6-9,15H,2-5,10-13H2,1H3,(H,26,31)
InChIKeyUCEWNXKOEGGJRJ-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43013798
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(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
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CID 90613890
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CID 72718569
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CID 108793622
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 90614898) is 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is UCEWNXKOEGGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-14-6-8-16(9-7-14)28-13-15(12-19(28)30)21(31)26-10-11-29-18-5-3-2-4-17(18)20(27-29)22(23,24)25/h6-9,15H,2-5,10-13H2,1H3,(H,26,31).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90614898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).