N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C10H14F3N3O — CID 55009426

IUPACN-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H14F3N3O/c1-4-16(5-10(11,12)13)9(17)8-6(2)14-15-7(8)3/h4-5H2,1-3H3,(H,14,15)
InChIKeyGODXIBGTDZXPNU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.05
Rot. Bonds3

About N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 55009426) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID55009426
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H14F3N3O/c1-4-16(5-10(11,12)13)9(17)8-6(2)14-15-7(8)3/h4-5H2,1-3H3,(H,14,15)
InChIKeyGODXIBGTDZXPNU-UHFFFAOYSA-N
XLogP2.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 55009426) is N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GODXIBGTDZXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-4-16(5-10(11,12)13)9(17)8-6(2)14-15-7(8)3/h4-5H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55009426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).