N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide

C22H20F3N7O — CID 71468064

IUPACN-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
SMILESCCN(CCc1ccn(-c2cc(C(F)(F)F)ccn2)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H20F3N7O/c1-2-30(21(33)18-5-3-4-6-19(18)32-27-11-12-28-32)13-8-17-9-14-31(29-17)20-15-16(7-10-26-20)22(23,24)25/h3-7,9-12,14-15H,2,8,13H2,1H3
InChIKeyKLBFKFOMAAKLIB-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.57
Rot. Bonds7

About N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide

N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide (PubChem CID 71468064) has the molecular formula C22H20F3N7O and a molecular weight of 455.44 g/mol. Its IUPAC name is N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
PubChem CID71468064
Molecular FormulaC22H20F3N7O
Molecular Weight455.44 g/mol
Exact Mass455.17
IUPAC NameN-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
SMILESCCN(CCc1ccn(-c2cc(C(F)(F)F)ccn2)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H20F3N7O/c1-2-30(21(33)18-5-3-4-6-19(18)32-27-11-12-28-32)13-8-17-9-14-31(29-17)20-15-16(7-10-26-20)22(23,24)25/h3-7,9-12,14-15H,2,8,13H2,1H3
InChIKeyKLBFKFOMAAKLIB-UHFFFAOYSA-N
XLogP3.57
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 71468063
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
2-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrimidine-4-carboxylic acid
CID 121413937
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 71468061
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
CID 121427026
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(tetrazol-2-yl)benzamide
CID 121413980
N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121315771
N-[2-(N-(4,6-dimethylpyrimidin-2-yl)-2-ethylanilino)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416969
N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700364
1-[2-(triazol-2-yl)phenyl]propan-1-one
CID 70794389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide (CID 71468064) is N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide is CCN(CCc1ccn(-c2cc(C(F)(F)F)ccn2)n1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide?
The InChIKey is KLBFKFOMAAKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O/c1-2-30(21(33)18-5-3-4-6-19(18)32-27-11-12-28-32)13-8-17-9-14-31(29-17)20-15-16(7-10-26-20)22(23,24)25/h3-7,9-12,14-15H,2,8,13H2,1H3.
What are the key properties of N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide?
N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide has a molecular weight of 455.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 71468064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).