tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole

C25H36F5N7O4 — CID 178139637

IUPACtert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole
SMILESCN1CCC(n2cc(C(F)(F)F)nc2CC(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C1=O.Cc1cnn(C(F)F)c1
InChIInChI=1S/C20H30F3N5O4.C5H6F2N2/c1-18(2,3)32-17(31)24-10-15(29)26-19(4,5)9-14-25-13(20(21,22)23)11-28(14)12-7-8-27(6)16(12)30;1-4-2-8-9(3-4)5(6)7/h11-12H,7-10H2,1-6H3,(H,24,31)(H,26,29);2-3,5H,1H3
InChIKeyZWQMSTZTGONMCJ-UHFFFAOYSA-N
MW593.60 g/mol
LogP3.85
Rot. Bonds7

About tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole

tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole (PubChem CID 178139637) has the molecular formula C25H36F5N7O4 and a molecular weight of 593.60 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole
PubChem CID178139637
Molecular FormulaC25H36F5N7O4
Molecular Weight593.60 g/mol
Exact Mass593.27
IUPAC Nametert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole
SMILESCN1CCC(n2cc(C(F)(F)F)nc2CC(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C1=O.Cc1cnn(C(F)F)c1
InChIInChI=1S/C20H30F3N5O4.C5H6F2N2/c1-18(2,3)32-17(31)24-10-15(29)26-19(4,5)9-14-25-13(20(21,22)23)11-28(14)12-7-8-27(6)16(12)30;1-4-2-8-9(3-4)5(6)7/h11-12H,7-10H2,1-6H3,(H,24,31)(H,26,29);2-3,5H,1H3
InChIKeyZWQMSTZTGONMCJ-UHFFFAOYSA-N
XLogP3.85
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.60
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]propanamide
CID 178139664
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
tert-butyl N-[[3-methyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]methyl]carbamate
CID 133397141
tert-butyl N-[(E)-3-fluoro-2-[[2-[4-(1-methyl-2-oxopyrrolidin-3-yl)oxypiperidin-1-yl]pyrimidin-5-yl]oxymethyl]prop-2-enyl]carbamate
CID 135307307
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
tert-butyl N-[2-oxo-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methylamino]ethyl]carbamate
CID 108916563
tert-butyl N-[(2R)-2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
CID 129409449
tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916770
tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
CID 86716241
tert-butyl N-[2-[[5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]amino]-2-oxoethyl]carbamate
CID 141246772
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[2-[[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole?
The IUPAC name of tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole (CID 178139637) is tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole.
What is the SMILES notation for tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole?
The canonical SMILES for tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole is CN1CCC(n2cc(C(F)(F)F)nc2CC(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C1=O.Cc1cnn(C(F)F)c1.
What is the InChIKey of tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole?
The InChIKey is ZWQMSTZTGONMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N5O4.C5H6F2N2/c1-18(2,3)32-17(31)24-10-15(29)26-19(4,5)9-14-25-13(20(21,22)23)11-28(14)12-7-8-27(6)16(12)30;1-4-2-8-9(3-4)5(6)7/h11-12H,7-10H2,1-6H3,(H,24,31)(H,26,29);2-3,5H,1H3.
What are the key properties of tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole?
tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole has a molecular weight of 593.60 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole is sourced from PubChem (CID 178139637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).