N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C7H8F3N3O — CID 142786101

IUPACN-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-2-11-6(14)4-3-12-13-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,14)(H,12,13)
InChIKeyQGVURQDKIJXYNM-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.18
Rot. Bonds2

About N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 142786101) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID142786101
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC NameN-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-2-11-6(14)4-3-12-13-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,14)(H,12,13)
InChIKeyQGVURQDKIJXYNM-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1H-pyrazole-4-carbohydrazide
CID 50987772
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
5-(Trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66781137
3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 72843899
5-methyl-N-[3-(2-methylpropylsulfanyl)propyl]-1H-pyrazole-4-carboxamide
CID 75433102
N-[(2S)-3,3-dimethylbutan-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 97329619
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 126794183
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132289687
(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 142786101) is N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CCNC(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is QGVURQDKIJXYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-2-11-6(14)4-3-12-13-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 142786101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).