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

C9H11F3N4O2 — CID 54876993

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H11F3N4O2/c1-16(8(18)6-2-14-15-3-6)4-7(17)13-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,13,17)(H,14,15)
InChIKeyMUMMAUSIRGBIDR-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.16
Rot. Bonds4

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

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 54876993) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID54876993
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H11F3N4O2/c1-16(8(18)6-2-14-15-3-6)4-7(17)13-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,13,17)(H,14,15)
InChIKeyMUMMAUSIRGBIDR-UHFFFAOYSA-N
XLogP0.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66901756
N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 68744944
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
N-(trifluoromethyl)-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 90898393
N-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole-4-carboxamide
CID 91561139
N-[chloro(difluoro)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 117994038

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 54876993) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MUMMAUSIRGBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-16(8(18)6-2-14-15-3-6)4-7(17)13-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 264.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).