cyclohexyl 5-amino-1H-indazole-3-carboxylate

C14H17N3O2 — CID 61310618

IUPACcyclohexyl 5-amino-1H-indazole-3-carboxylate
SMILESNc1ccc2[nH]nc(C(=O)OC3CCCCC3)c2c1
InChIInChI=1S/C14H17N3O2/c15-9-6-7-12-11(8-9)13(17-16-12)14(18)19-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,16,17)
InChIKeyHZISZEUCERSPTQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.63
Rot. Bonds2

About cyclohexyl 5-amino-1H-indazole-3-carboxylate

cyclohexyl 5-amino-1H-indazole-3-carboxylate (PubChem CID 61310618) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cyclohexyl 5-amino-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-amino-1H-indazole-3-carboxylate
PubChem CID61310618
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecyclohexyl 5-amino-1H-indazole-3-carboxylate
SMILESNc1ccc2[nH]nc(C(=O)OC3CCCCC3)c2c1
InChIInChI=1S/C14H17N3O2/c15-9-6-7-12-11(8-9)13(17-16-12)14(18)19-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,16,17)
InChIKeyHZISZEUCERSPTQ-UHFFFAOYSA-N
XLogP2.63
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-amino-1H-indazole-3-carboxylate?
The IUPAC name of cyclohexyl 5-amino-1H-indazole-3-carboxylate (CID 61310618) is cyclohexyl 5-amino-1H-indazole-3-carboxylate.
What is the SMILES notation for cyclohexyl 5-amino-1H-indazole-3-carboxylate?
The canonical SMILES for cyclohexyl 5-amino-1H-indazole-3-carboxylate is Nc1ccc2[nH]nc(C(=O)OC3CCCCC3)c2c1.
What is the InChIKey of cyclohexyl 5-amino-1H-indazole-3-carboxylate?
The InChIKey is HZISZEUCERSPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-9-6-7-12-11(8-9)13(17-16-12)14(18)19-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,16,17).
What are the key properties of cyclohexyl 5-amino-1H-indazole-3-carboxylate?
cyclohexyl 5-amino-1H-indazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-amino-1H-indazole-3-carboxylate is sourced from PubChem (CID 61310618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).