ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

C10H14N2O2 — CID 6624328

IUPACethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h2-6H2,1H3,(H,11,12)
InChIKeyHESKTUHERVMQMI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (PubChem CID 6624328) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
PubChem CID6624328
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h2-6H2,1H3,(H,11,12)
InChIKeyHESKTUHERVMQMI-UHFFFAOYSA-N
XLogP1.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate 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 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (CID 6624328) is ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate is CCOC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The InChIKey is HESKTUHERVMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h2-6H2,1H3,(H,11,12).
What are the key properties of ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate is sourced from PubChem (CID 6624328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).