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

C10H11FN4O2 — CID 54214397

IUPACethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate
SMILESCCOC(=O)NNc1n[nH]c2ccc(F)cc12
InChIInChI=1S/C10H11FN4O2/c1-2-17-10(16)15-14-9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,15,16)(H2,12,13,14)
InChIKeyPYDJAKDPXYSGLG-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.77
Rot. Bonds3

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

ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate (PubChem CID 54214397) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate
PubChem CID54214397
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Nameethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate
SMILESCCOC(=O)NNc1n[nH]c2ccc(F)cc12
InChIInChI=1S/C10H11FN4O2/c1-2-17-10(16)15-14-9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,15,16)(H2,12,13,14)
InChIKeyPYDJAKDPXYSGLG-UHFFFAOYSA-N
XLogP1.77
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate?
The IUPAC name of ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate (CID 54214397) is ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate.
What is the SMILES notation for ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate?
The canonical SMILES for ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate is CCOC(=O)NNc1n[nH]c2ccc(F)cc12.
What is the InChIKey of ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate?
The InChIKey is PYDJAKDPXYSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-2-17-10(16)15-14-9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,15,16)(H2,12,13,14).
What are the key properties of ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate?
ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate has a molecular weight of 238.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate is sourced from PubChem (CID 54214397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).