N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

C11H16F3N3O — CID 64754310

IUPACN-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCOCCNc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3O/c1-18-5-4-15-10-8-6-7(11(12,13)14)2-3-9(8)16-17-10/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyYYPFNWBJMWOHPV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.14
Rot. Bonds4

About N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64754310) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64754310
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCOCCNc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3O/c1-18-5-4-15-10-8-6-7(11(12,13)14)2-3-9(8)16-17-10/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyYYPFNWBJMWOHPV-UHFFFAOYSA-N
XLogP2.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64754310) is N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is COCCNc1n[nH]c2c1CC(C(F)(F)F)CC2.
What is the InChIKey of N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is YYPFNWBJMWOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-18-5-4-15-10-8-6-7(11(12,13)14)2-3-9(8)16-17-10/h7H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 263.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64754310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).