ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate

C11H11F3N4O2 — CID 21390887

IUPACethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate
SMILESCCOC(=O)N(N)c1n[nH]c2cccc(C(F)(F)F)c12
InChIInChI=1S/C11H11F3N4O2/c1-2-20-10(19)18(15)9-8-6(11(12,13)14)4-3-5-7(8)16-17-9/h3-5H,2,15H2,1H3,(H,16,17)
InChIKeyGWFGGUFWDBGKCH-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.42
Rot. Bonds2

About ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate

ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate (PubChem CID 21390887) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate
PubChem CID21390887
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Nameethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate
SMILESCCOC(=O)N(N)c1n[nH]c2cccc(C(F)(F)F)c12
InChIInChI=1S/C11H11F3N4O2/c1-2-20-10(19)18(15)9-8-6(11(12,13)14)4-3-5-7(8)16-17-9/h3-5H,2,15H2,1H3,(H,16,17)
InChIKeyGWFGGUFWDBGKCH-UHFFFAOYSA-N
XLogP2.42
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate?
The IUPAC name of ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate (CID 21390887) is ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate?
The canonical SMILES for ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate is CCOC(=O)N(N)c1n[nH]c2cccc(C(F)(F)F)c12.
What is the InChIKey of ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate?
The InChIKey is GWFGGUFWDBGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-2-20-10(19)18(15)9-8-6(11(12,13)14)4-3-5-7(8)16-17-9/h3-5H,2,15H2,1H3,(H,16,17).
What are the key properties of ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate?
ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate has a molecular weight of 288.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate is sourced from PubChem (CID 21390887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).