ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate

C10H11FN4O2 — CID 21390876

IUPACethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate
SMILESCCOC(=O)N(N)c1n[nH]c2ccc(F)cc12
InChIInChI=1S/C10H11FN4O2/c1-2-17-10(16)15(12)9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyIBEQHLWUAIMILF-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.54
Rot. Bonds2

About ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate

ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate (PubChem CID 21390876) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate
PubChem CID21390876
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Nameethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate
SMILESCCOC(=O)N(N)c1n[nH]c2ccc(F)cc12
InChIInChI=1S/C10H11FN4O2/c1-2-17-10(16)15(12)9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyIBEQHLWUAIMILF-UHFFFAOYSA-N
XLogP1.54
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.54
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate?
The IUPAC name of ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate (CID 21390876) is ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate?
The canonical SMILES for ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate is CCOC(=O)N(N)c1n[nH]c2ccc(F)cc12.
What is the InChIKey of ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate?
The InChIKey is IBEQHLWUAIMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-2-17-10(16)15(12)9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,2,12H2,1H3,(H,13,14).
What are the key properties of ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate?
ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate has a molecular weight of 238.22 g/mol, XLogP of 1.54, 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-(5-fluoro-1H-indazol-3-yl)carbamate is sourced from PubChem (CID 21390876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).