N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide

C11H15F3N4O2 — CID 60959155

IUPACN,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-6-9(7(2)17-16-6)10(20)18(3)4-8(19)15-5-11(12,13)14/h4-5H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyHGDRDKFYBGLKSP-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.78
Rot. Bonds4

About N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide

N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 60959155) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID60959155
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-6-9(7(2)17-16-6)10(20)18(3)4-8(19)15-5-11(12,13)14/h4-5H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyHGDRDKFYBGLKSP-UHFFFAOYSA-N
XLogP0.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 60959155) is N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HGDRDKFYBGLKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-6-9(7(2)17-16-6)10(20)18(3)4-8(19)15-5-11(12,13)14/h4-5H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60959155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).