N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide

C14H18F3N3O — CID 75475685

IUPACN-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCCc2cn(CC(F)(F)F)nc21)C1CCC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)8-20-7-10-5-2-6-11(12(10)19-20)18-13(21)9-3-1-4-9/h7,9,11H,1-6,8H2,(H,18,21)
InChIKeyCZNYUHBIHIMURH-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.74
Rot. Bonds3

About N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide

N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide (PubChem CID 75475685) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
PubChem CID75475685
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCCc2cn(CC(F)(F)F)nc21)C1CCC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)8-20-7-10-5-2-6-11(12(10)19-20)18-13(21)9-3-1-4-9/h7,9,11H,1-6,8H2,(H,18,21)
InChIKeyCZNYUHBIHIMURH-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide (CID 75475685) is N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide is O=C(NC1CCCc2cn(CC(F)(F)F)nc21)C1CCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide?
The InChIKey is CZNYUHBIHIMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)8-20-7-10-5-2-6-11(12(10)19-20)18-13(21)9-3-1-4-9/h7,9,11H,1-6,8H2,(H,18,21).
What are the key properties of N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide?
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide is sourced from PubChem (CID 75475685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).