N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C13H18F3N3O — CID 169169495

IUPACN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCCc1nn(C)c(NC(=O)CC2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C13H18F3N3O/c1-4-9-8(2)11(19(3)18-9)17-10(20)7-12(5-6-12)13(14,15)16/h4-7H2,1-3H3,(H,17,20)
InChIKeyYLBNDDBLECCAEI-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.96
Rot. Bonds4

About N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 169169495) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID169169495
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCCc1nn(C)c(NC(=O)CC2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C13H18F3N3O/c1-4-9-8(2)11(19(3)18-9)17-10(20)7-12(5-6-12)13(14,15)16/h4-7H2,1-3H3,(H,17,20)
InChIKeyYLBNDDBLECCAEI-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 169169495) is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide is CCc1nn(C)c(NC(=O)CC2(C(F)(F)F)CC2)c1C.
What is the InChIKey of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is YLBNDDBLECCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-4-9-8(2)11(19(3)18-9)17-10(20)7-12(5-6-12)13(14,15)16/h4-7H2,1-3H3,(H,17,20).
What are the key properties of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 169169495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).