N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide

C21H19F3N4O — CID 58267607

IUPACN-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide
SMILESO=C(Nc1cccnc1)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)19-17-9-3-4-10-18(17)28(27-19)13-14-6-1-2-8-16(14)20(29)26-15-7-5-11-25-12-15/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,26,29)
InChIKeyBGVHALGCTOJDIC-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.48
Rot. Bonds4

About N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide

N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide (PubChem CID 58267607) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide
PubChem CID58267607
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide
SMILESO=C(Nc1cccnc1)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)19-17-9-3-4-10-18(17)28(27-19)13-14-6-1-2-8-16(14)20(29)26-15-7-5-11-25-12-15/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,26,29)
InChIKeyBGVHALGCTOJDIC-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-yl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3464405
N-pyridin-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267378
2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
N-[4-(hydroxymethyl)-3-pyridinyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 138016938
4-pyridin-3-yl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 58267593
N-phenyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860978
N-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527286
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
N-[amino(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 143868545
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
3-[[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-4-chloro-N-pyridin-3-ylbenzamide
CID 59607006

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide?
The IUPAC name of N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide (CID 58267607) is N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide?
The canonical SMILES for N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide is O=C(Nc1cccnc1)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide?
The InChIKey is BGVHALGCTOJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)19-17-9-3-4-10-18(17)28(27-19)13-14-6-1-2-8-16(14)20(29)26-15-7-5-11-25-12-15/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,26,29).
What are the key properties of N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide?
N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide is sourced from PubChem (CID 58267607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).