ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate

C20H25F3N4O3 — CID 60580044

IUPACethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)C
InChIInChI=1S/C20H25F3N4O3/c1-4-30-19(29)25-15(11-13(2)3)12-24-18(28)14-5-7-16(8-6-14)27-10-9-17(26-27)20(21,22)23/h5-10,13,15H,4,11-12H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPFNRJTOVIMGCBV-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.78
Rot. Bonds8

About ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate (PubChem CID 60580044) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
PubChem CID60580044
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Nameethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)C
InChIInChI=1S/C20H25F3N4O3/c1-4-30-19(29)25-15(11-13(2)3)12-24-18(28)14-5-7-16(8-6-14)27-10-9-17(26-27)20(21,22)23/h5-10,13,15H,4,11-12H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPFNRJTOVIMGCBV-UHFFFAOYSA-N
XLogP3.78
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate with MolForge

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Related Compounds

ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 110904260
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510
ethyl N-[4-methyl-1-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]pentan-2-yl]carbamate
CID 46432492
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate (CID 60580044) is ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate?
The InChIKey is PFNRJTOVIMGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-4-30-19(29)25-15(11-13(2)3)12-24-18(28)14-5-7-16(8-6-14)27-10-9-17(26-27)20(21,22)23/h5-10,13,15H,4,11-12H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate has a molecular weight of 426.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 60580044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).