N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide

C8H11F2N3O — CID 107168195

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide
SMILESCCc1nn(C)cc1NC(=O)C(F)F
InChIInChI=1S/C8H11F2N3O/c1-3-5-6(4-13(2)12-5)11-8(14)7(9)10/h4,7H,3H2,1-2H3,(H,11,14)
InChIKeyZOOOLUFRMPHISB-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.19
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide (PubChem CID 107168195) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide
PubChem CID107168195
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide
SMILESCCc1nn(C)cc1NC(=O)C(F)F
InChIInChI=1S/C8H11F2N3O/c1-3-5-6(4-13(2)12-5)11-8(14)7(9)10/h4,7H,3H2,1-2H3,(H,11,14)
InChIKeyZOOOLUFRMPHISB-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide (CID 107168195) is N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide is CCc1nn(C)cc1NC(=O)C(F)F.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide?
The InChIKey is ZOOOLUFRMPHISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-3-5-6(4-13(2)12-5)11-8(14)7(9)10/h4,7H,3H2,1-2H3,(H,11,14).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide has a molecular weight of 203.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 107168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).