N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide

C21H24F3N3O — CID 24825807

IUPACN-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)NC1CCCC1
InChIInChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28)
InChIKeyJUCJQZNUMLLICR-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.37
Rot. Bonds4

About N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide

N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide (PubChem CID 24825807) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide
PubChem CID24825807
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC NameN-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)NC1CCCC1
InChIInChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28)
InChIKeyJUCJQZNUMLLICR-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide (CID 24825807) is N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide is O=C(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
The InChIKey is JUCJQZNUMLLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28).
What are the key properties of N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 24825807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).