cyclopropa[e]indazole-1-carboxamide

C9H5N3O — CID 154309346

IUPACcyclopropa[e]indazole-1-carboxamide
SMILESNC(=O)c1nnc2ccc3cc3c12
InChIInChI=1S/C9H5N3O/c10-9(13)8-7-5-3-4(5)1-2-6(7)11-12-8/h1-3H,(H2,10,13)
InChIKeySHJAJYAWPDMXIG-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.76
Rot. Bonds1

About cyclopropa[e]indazole-1-carboxamide

cyclopropa[e]indazole-1-carboxamide (PubChem CID 154309346) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is cyclopropa[e]indazole-1-carboxamide.

Molecular Properties

Compound Namecyclopropa[e]indazole-1-carboxamide
PubChem CID154309346
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Namecyclopropa[e]indazole-1-carboxamide
SMILESNC(=O)c1nnc2ccc3cc3c12
InChIInChI=1S/C9H5N3O/c10-9(13)8-7-5-3-4(5)1-2-6(7)11-12-8/h1-3H,(H2,10,13)
InChIKeySHJAJYAWPDMXIG-UHFFFAOYSA-N
XLogP0.76
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7H-indazole-3-carboxamide
CID 69541568
5-imino-3H-indol-2-one
CID 69867295
3-Cyclohexa-1,5-dien-1-yl-3-iminopropanamide
CID 123319684
Cyclopropa[f]indazole-3-carboxamide
CID 141401702
5H-indazole-3-carboxamide
CID 174698890
(4E)-4-ethenyl-2,3-diiminohepta-4,6-dienamide
CID 143438356

Frequently Asked Questions

What is the IUPAC name of cyclopropa[e]indazole-1-carboxamide?
The IUPAC name of cyclopropa[e]indazole-1-carboxamide (CID 154309346) is cyclopropa[e]indazole-1-carboxamide.
What is the SMILES notation for cyclopropa[e]indazole-1-carboxamide?
The canonical SMILES for cyclopropa[e]indazole-1-carboxamide is NC(=O)c1nnc2ccc3cc3c12.
What is the InChIKey of cyclopropa[e]indazole-1-carboxamide?
The InChIKey is SHJAJYAWPDMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-9(13)8-7-5-3-4(5)1-2-6(7)11-12-8/h1-3H,(H2,10,13).
What are the key properties of cyclopropa[e]indazole-1-carboxamide?
cyclopropa[e]indazole-1-carboxamide has a molecular weight of 171.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropa[e]indazole-1-carboxamide is sourced from PubChem (CID 154309346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).