N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H14F3N3O2 — CID 86844832

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)c1cc(NC(=O)COCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)7-3-8(16-15-7)14-9(17)4-18-5-10(11,12)13/h3,6H,4-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyCZRSVMZJEPZPOV-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.05
Rot. Bonds5

About N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86844832) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86844832
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)c1cc(NC(=O)COCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)7-3-8(16-15-7)14-9(17)4-18-5-10(11,12)13/h3,6H,4-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyCZRSVMZJEPZPOV-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86844832) is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)c1cc(NC(=O)COCC(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CZRSVMZJEPZPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(2)7-3-8(16-15-7)14-9(17)4-18-5-10(11,12)13/h3,6H,4-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 265.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86844832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).