N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C10H13F3N4O2 — CID 54876866

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H13F3N4O2/c1-16(2)8(18)5-17(6-10(11,12)13)9(19)7-3-14-15-4-7/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyXEKGILHICIVWDS-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.50
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54876866) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54876866
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H13F3N4O2/c1-16(2)8(18)5-17(6-10(11,12)13)9(19)7-3-14-15-4-7/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyXEKGILHICIVWDS-UHFFFAOYSA-N
XLogP0.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
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
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66901756
5-fluoro-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 67120909
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54876866) is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XEKGILHICIVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-16(2)8(18)5-17(6-10(11,12)13)9(19)7-3-14-15-4-7/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).