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

C10H14F3N3O2 — CID 54896806

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1[nH]ncc1CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-7-8(5-15-16-7)4-14-9(17)2-3-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyZLMMXYARQLEUOX-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.30
Rot. Bonds6

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 54896806) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID54896806
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1[nH]ncc1CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-7-8(5-15-16-7)4-14-9(17)2-3-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyZLMMXYARQLEUOX-UHFFFAOYSA-N
XLogP1.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
N-Methyl-N-[(3-methyl-1H-pyrazol-4-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91771454
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
N-(1H-pyrazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54897065
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 61004755
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61021666
2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
CID 61067496
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61068856
N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61217829
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 61690029

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 54896806) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is Cc1[nH]ncc1CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZLMMXYARQLEUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7-8(5-15-16-7)4-14-9(17)2-3-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 265.23 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 54896806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).