ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate

C17H28F2N4O3 — CID 48658242

IUPACethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)Cc1c(C)nn(C(F)F)c1C)CC(C)C
InChIInChI=1S/C17H28F2N4O3/c1-6-26-17(25)21-13(7-10(2)3)9-20-15(24)8-14-11(4)22-23(12(14)5)16(18)19/h10,13,16H,6-9H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyKTKGNPPSTJJPLF-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.71
Rot. Bonds9

About ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 48658242) has the molecular formula C17H28F2N4O3 and a molecular weight of 374.43 g/mol. Its IUPAC name is ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID48658242
Molecular FormulaC17H28F2N4O3
Molecular Weight374.43 g/mol
Exact Mass374.21
IUPAC Nameethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)Cc1c(C)nn(C(F)F)c1C)CC(C)C
InChIInChI=1S/C17H28F2N4O3/c1-6-26-17(25)21-13(7-10(2)3)9-20-15(24)8-14-11(4)22-23(12(14)5)16(18)19/h10,13,16H,6-9H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyKTKGNPPSTJJPLF-UHFFFAOYSA-N
XLogP2.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate with MolForge

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
tert-butyl N-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 31865044
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062541
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062543
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062545
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062546
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 36820880
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-morpholin-4-ylbutyl)acetamide
CID 47080212
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 48652080
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 48652119
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 48652661

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate (CID 48658242) is ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)Cc1c(C)nn(C(F)F)c1C)CC(C)C.
What is the InChIKey of ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is KTKGNPPSTJJPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N4O3/c1-6-26-17(25)21-13(7-10(2)3)9-20-15(24)8-14-11(4)22-23(12(14)5)16(18)19/h10,13,16H,6-9H2,1-5H3,(H,20,24)(H,21,25).
What are the key properties of ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 374.43 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 48658242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).