N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide

C7H8F3N3O — CID 115968591

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCCc1cn[nH]c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-2-4-3-11-13-5(4)12-6(14)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyMLNZSFIVWVKIID-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.47
Rot. Bonds2

About N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide

N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 115968591) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID115968591
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCCc1cn[nH]c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-2-4-3-11-13-5(4)12-6(14)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyMLNZSFIVWVKIID-UHFFFAOYSA-N
XLogP1.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide (CID 115968591) is N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide is CCc1cn[nH]c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is MLNZSFIVWVKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-2-4-3-11-13-5(4)12-6(14)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 207.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 115968591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).