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

C16H23F3N4O2 — CID 647842

IUPACN-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN1CCOCC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)15-12-3-1-2-4-13(12)23(21-15)11-14(24)20-5-6-22-7-9-25-10-8-22/h1-11H2,(H,20,24)
InChIKeyKIJCNXMMWDTTJR-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.23
Rot. Bonds5

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

N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 647842) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID647842
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN1CCOCC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)15-12-3-1-2-4-13(12)23(21-15)11-14(24)20-5-6-22-7-9-25-10-8-22/h1-11H2,(H,20,24)
InChIKeyKIJCNXMMWDTTJR-UHFFFAOYSA-N
XLogP1.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 647842) is N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is KIJCNXMMWDTTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)15-12-3-1-2-4-13(12)23(21-15)11-14(24)20-5-6-22-7-9-25-10-8-22/h1-11H2,(H,20,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 647842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).