N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide

C20H19F5N6O2 — CID 155119340

IUPACN-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCCc1cc(NC(=O)c2ncc(-c3cn(CC(F)F)nc3C(F)(F)F)n2C)ccc1C(N)=O
InChIInChI=1S/C20H19F5N6O2/c1-3-10-6-11(4-5-12(10)17(26)32)28-19(33)18-27-7-14(30(18)2)13-8-31(9-15(21)22)29-16(13)20(23,24)25/h4-8,15H,3,9H2,1-2H3,(H2,26,32)(H,28,33)
InChIKeyLKVYPOWSNGPXOJ-UHFFFAOYSA-N
MW470.40 g/mol
LogP3.48
Rot. Bonds7

About N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide

N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide (PubChem CID 155119340) has the molecular formula C20H19F5N6O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
PubChem CID155119340
Molecular FormulaC20H19F5N6O2
Molecular Weight470.40 g/mol
Exact Mass470.15
IUPAC NameN-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCCc1cc(NC(=O)c2ncc(-c3cn(CC(F)F)nc3C(F)(F)F)n2C)ccc1C(N)=O
InChIInChI=1S/C20H19F5N6O2/c1-3-10-6-11(4-5-12(10)17(26)32)28-19(33)18-27-7-14(30(18)2)13-8-31(9-15(21)22)29-16(13)20(23,24)25/h4-8,15H,3,9H2,1-2H3,(H2,26,32)(H,28,33)
InChIKeyLKVYPOWSNGPXOJ-UHFFFAOYSA-N
XLogP3.48
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-chloro-4-[[5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]-N-[(3-hydroxyazetidin-3-yl)methyl]piperazine-1-carboxamide
CID 155098149
4-[4-[[5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]-2-methylbenzoyl]-N-[(3S)-pyrrolidin-3-yl]piperazine-1-carboxamide
CID 155119248
N-[4-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperazine-1-carbonyl]-3-ethylphenyl]-5-[1-(cyanomethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098536
(2,2,2-trifluoroacetyl) 2-chloro-4-[[1-methyl-5-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carbonyl]amino]benzoate
CID 155098500
4-[2-ethyl-4-[[1-methyl-5-[1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carbonyl]amino]benzoyl]-N-[(3-hydroxyazetidin-3-yl)methyl]piperazine-1-carboxamide
CID 155098321
N-(2-aminoethyl)-2-[4-[2-chloro-4-[1-[5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]ethenylamino]benzoyl]piperazin-1-yl]acetamide
CID 155690657
N-[3-bromo-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098531
N-[4-(4-aminobutylcarbamoyl)-3-chlorophenyl]-1-methyl-5-[1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155098429
N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098600
4-[4-[[5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]phenyl]sulfonyl-N-[(3S)-pyrrolidin-3-yl]piperazine-1-carboxamide
CID 155119187
N-(5-aminopentyl)-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 157025472
N-[3-[[(2R)-2-aminopropanoyl]amino]propyl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 157025166

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide (CID 155119340) is N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide is CCc1cc(NC(=O)c2ncc(-c3cn(CC(F)F)nc3C(F)(F)F)n2C)ccc1C(N)=O.
What is the InChIKey of N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is LKVYPOWSNGPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O2/c1-3-10-6-11(4-5-12(10)17(26)32)28-19(33)18-27-7-14(30(18)2)13-8-31(9-15(21)22)29-16(13)20(23,24)25/h4-8,15H,3,9H2,1-2H3,(H2,26,32)(H,28,33).
What are the key properties of N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 155119340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).