N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H14F3N3O2 — CID 43546777

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6-9(7(2)16-15-6)14-8(17)3-4-18-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRXCUWSDXNJDHBA-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.93
Rot. Bonds5

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43546777) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43546777
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6-9(7(2)16-15-6)14-8(17)3-4-18-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRXCUWSDXNJDHBA-UHFFFAOYSA-N
XLogP1.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43546777) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide is Cc1n[nH]c(C)c1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RXCUWSDXNJDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-9(7(2)16-15-6)14-8(17)3-4-18-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 265.23 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43546777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).