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

C10H15N3O2 — CID 23005640

IUPACethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CC(N)CC2
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h6H,2-5,11H2,1H3,(H,12,13)
InChIKeyYVUJZPIEAKBBSY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.40
Rot. Bonds2

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

ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (PubChem CID 23005640) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
PubChem CID23005640
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CC(N)CC2
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h6H,2-5,11H2,1H3,(H,12,13)
InChIKeyYVUJZPIEAKBBSY-UHFFFAOYSA-N
XLogP0.40
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (CID 23005640) is ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate is CCOC(=O)c1n[nH]c2c1CC(N)CC2.
What is the InChIKey of ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The InChIKey is YVUJZPIEAKBBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h6H,2-5,11H2,1H3,(H,12,13).
What are the key properties of ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate is sourced from PubChem (CID 23005640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).