N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide

C23H26F3N5O — CID 162592429

IUPACN-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
SMILESCCC(CNc1ccc(C(F)(F)F)cn1)N(CC)C(=O)c1cc(C)ccc1-n1cccn1
InChIInChI=1S/C23H26F3N5O/c1-4-18(15-28-21-10-8-17(14-27-21)23(24,25)26)30(5-2)22(32)19-13-16(3)7-9-20(19)31-12-6-11-29-31/h6-14,18H,4-5,15H2,1-3H3,(H,27,28)
InChIKeyUNFWVEXGQCKSSP-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.95
Rot. Bonds8

About N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide

N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide (PubChem CID 162592429) has the molecular formula C23H26F3N5O and a molecular weight of 445.49 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
PubChem CID162592429
Molecular FormulaC23H26F3N5O
Molecular Weight445.49 g/mol
Exact Mass445.21
IUPAC NameN-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
SMILESCCC(CNc1ccc(C(F)(F)F)cn1)N(CC)C(=O)c1cc(C)ccc1-n1cccn1
InChIInChI=1S/C23H26F3N5O/c1-4-18(15-28-21-10-8-17(14-27-21)23(24,25)26)30(5-2)22(32)19-13-16(3)7-9-20(19)31-12-6-11-29-31/h6-14,18H,4-5,15H2,1-3H3,(H,27,28)
InChIKeyUNFWVEXGQCKSSP-UHFFFAOYSA-N
XLogP4.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 118917706
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569720
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
6-[2-[[5-chloro-2-(triazol-2-yl)benzoyl]-methylamino]butylamino]pyridine-3-carboxylic acid
CID 118917724
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
CID 170241702
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025841
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123640803
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide
CID 118917725
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
CID 126668779
(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 100650710
[2-(5,6-didehydropyrimidin-2-yl)-5-methylphenyl]-[(2R)-3,3-difluoro-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 166810676

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
The IUPAC name of N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide (CID 162592429) is N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide.
What is the SMILES notation for N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
The canonical SMILES for N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide is CCC(CNc1ccc(C(F)(F)F)cn1)N(CC)C(=O)c1cc(C)ccc1-n1cccn1.
What is the InChIKey of N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
The InChIKey is UNFWVEXGQCKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O/c1-4-18(15-28-21-10-8-17(14-27-21)23(24,25)26)30(5-2)22(32)19-13-16(3)7-9-20(19)31-12-6-11-29-31/h6-14,18H,4-5,15H2,1-3H3,(H,27,28).
What are the key properties of N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide has a molecular weight of 445.49 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 162592429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).