N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide

C16H20F3N3O2 — CID 89194568

IUPACN-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=Cc1nn(C2CCCCC2)c2c1CC(NC(=O)C(F)(F)F)CC2
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)15(24)20-10-6-7-14-12(8-10)13(9-23)21-22(14)11-4-2-1-3-5-11/h9-11H,1-8H2,(H,20,24)
InChIKeyOWWMCIVNGJBDCC-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.74
Rot. Bonds3

About N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide

N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 89194568) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID89194568
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=Cc1nn(C2CCCCC2)c2c1CC(NC(=O)C(F)(F)F)CC2
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)15(24)20-10-6-7-14-12(8-10)13(9-23)21-22(14)11-4-2-1-3-5-11/h9-11H,1-8H2,(H,20,24)
InChIKeyOWWMCIVNGJBDCC-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide (CID 89194568) is N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide is O=Cc1nn(C2CCCCC2)c2c1CC(NC(=O)C(F)(F)F)CC2.
What is the InChIKey of N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OWWMCIVNGJBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)15(24)20-10-6-7-14-12(8-10)13(9-23)21-22(14)11-4-2-1-3-5-11/h9-11H,1-8H2,(H,20,24).
What are the key properties of N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide?
N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 343.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-formyl-4,5,6,7-tetrahydroindazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89194568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).