N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

C23H22F3N7O — CID 57389400

IUPACN-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILESCCN(CCn1ccc(-c2cccc(C(F)(F)F)n2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H22F3N7O/c1-3-31(22(34)17-15-16(2)7-8-20(17)33-27-10-11-28-33)13-14-32-12-9-19(30-32)18-5-4-6-21(29-18)23(24,25)26/h4-12,15H,3,13-14H2,1-2H3
InChIKeyDKBOAJNCHBGHRQ-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (PubChem CID 57389400) 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-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
PubChem CID57389400
Molecular FormulaC23H22F3N7O
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC NameN-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILESCCN(CCn1ccc(-c2cccc(C(F)(F)F)n2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H22F3N7O/c1-3-31(22(34)17-15-16(2)7-8-20(17)33-27-10-11-28-33)13-14-32-12-9-19(30-32)18-5-4-6-21(29-18)23(24,25)26/h4-12,15H,3,13-14H2,1-2H3
InChIKeyDKBOAJNCHBGHRQ-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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Related Compounds

Vornorexant
CID 137419776
(18F)MK-1312
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CID 57382333
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
[(7R)-7-methyl-4-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24965286
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389971
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
Csf1R-IN-1
CID 137333440
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
[(2S)-2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 156011286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (CID 57389400) is N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is CCN(CCn1ccc(-c2cccc(C(F)(F)F)n2)n1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The InChIKey is DKBOAJNCHBGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O/c1-3-31(22(34)17-15-16(2)7-8-20(17)33-27-10-11-28-33)13-14-32-12-9-19(30-32)18-5-4-6-21(29-18)23(24,25)26/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 57389400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).