N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

C23H22F3N7O — CID 57389232

IUPACN-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILESCCN(CCn1ccc(-c2cc(C(F)(F)F)ccn2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H22F3N7O/c1-3-31(22(34)18-14-16(2)4-5-21(18)33-28-9-10-29-33)12-13-32-11-7-19(30-32)20-15-17(6-8-27-20)23(24,25)26/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyAXYGLZUDMXPKFU-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (PubChem CID 57389232) has the molecular formula C23H22F3N7O and a molecular weight of 469.47 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
PubChem CID57389232
Molecular FormulaC23H22F3N7O
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC NameN-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILESCCN(CCn1ccc(-c2cc(C(F)(F)F)ccn2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H22F3N7O/c1-3-31(22(34)18-14-16(2)4-5-21(18)33-28-9-10-29-33)12-13-32-11-7-19(30-32)20-15-17(6-8-27-20)23(24,25)26/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyAXYGLZUDMXPKFU-UHFFFAOYSA-N
XLogP4.02
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (CID 57389232) is N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is CCN(CCn1ccc(-c2cc(C(F)(F)F)ccn2)n1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The InChIKey is AXYGLZUDMXPKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O/c1-3-31(22(34)18-14-16(2)4-5-21(18)33-28-9-10-29-33)12-13-32-11-7-19(30-32)20-15-17(6-8-27-20)23(24,25)26/h4-11,14-15H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 469.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 57389232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).