2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide

C11H16F3N3O2 — CID 129034363

IUPAC2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide
SMILESCc1[nH]n(CC(F)(F)F)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C11H16F3N3O2/c1-6(2)9(18)15-4-8-7(3)16-17(10(8)19)5-11(12,13)14/h6,16H,4-5H2,1-3H3,(H,15,18)
InChIKeyGLZWGCQNFBILSF-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.32
Rot. Bonds4

About 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide

2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide (PubChem CID 129034363) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide
PubChem CID129034363
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide
SMILESCc1[nH]n(CC(F)(F)F)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C11H16F3N3O2/c1-6(2)9(18)15-4-8-7(3)16-17(10(8)19)5-11(12,13)14/h6,16H,4-5H2,1-3H3,(H,15,18)
InChIKeyGLZWGCQNFBILSF-UHFFFAOYSA-N
XLogP1.32
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide with MolForge

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Related Compounds

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368071
N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide
CID 134314281
N-[(2,7-dimethyl-5-oxo-3H-imidazo[1,2-a]pyridin-6-yl)methyl]-2-methylpropanamide
CID 153188431
2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide
CID 129034358
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]propanamide
CID 156532281
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
CID 131025432
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 144778765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide (CID 129034363) is 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide is Cc1[nH]n(CC(F)(F)F)c(=O)c1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide?
The InChIKey is GLZWGCQNFBILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-6(2)9(18)15-4-8-7(3)16-17(10(8)19)5-11(12,13)14/h6,16H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide?
2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 129034363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).