N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide

C15H16F3N3O2 — CID 19394355

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCCn1ncc(NC(=O)c2cccc(OCC(F)(F)F)c2)c1C
InChIInChI=1S/C15H16F3N3O2/c1-3-21-10(2)13(8-19-21)20-14(22)11-5-4-6-12(7-11)23-9-15(16,17)18/h4-8H,3,9H2,1-2H3,(H,20,22)
InChIKeyDNFKATKJXSHMGW-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.40
Rot. Bonds5

About N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide

N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 19394355) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID19394355
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCCn1ncc(NC(=O)c2cccc(OCC(F)(F)F)c2)c1C
InChIInChI=1S/C15H16F3N3O2/c1-3-21-10(2)13(8-19-21)20-14(22)11-5-4-6-12(7-11)23-9-15(16,17)18/h4-8H,3,9H2,1-2H3,(H,20,22)
InChIKeyDNFKATKJXSHMGW-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19323105
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394370
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19339113
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19469039
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19411918
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19329009
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 146081206
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
CID 99625046

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide (CID 19394355) is N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide is CCn1ncc(NC(=O)c2cccc(OCC(F)(F)F)c2)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is DNFKATKJXSHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-3-21-10(2)13(8-19-21)20-14(22)11-5-4-6-12(7-11)23-9-15(16,17)18/h4-8H,3,9H2,1-2H3,(H,20,22).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 327.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 19394355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).