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

C10H14F3N3O2 — CID 103856466

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(NC(=O)CCOCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2/c1-7(8-4-14-15-5-8)16-9(17)2-3-18-6-10(11,12)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGICBKTXOZKJWGU-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.56
Rot. Bonds6

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

N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103856466) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103856466
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(NC(=O)CCOCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2/c1-7(8-4-14-15-5-8)16-9(17)2-3-18-6-10(11,12)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGICBKTXOZKJWGU-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103856466) is N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is CC(NC(=O)CCOCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GICBKTXOZKJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7(8-4-14-15-5-8)16-9(17)2-3-18-6-10(11,12)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 265.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103856466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).