5H-indazole-3-carboxamide

C8H7N3O — CID 174698890

IUPAC5H-indazole-3-carboxamide
SMILESNC(=O)C1=NN=C2C=CCC=C21
InChIInChI=1S/C8H7N3O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h2-4H,1H2,(H2,9,12)
InChIKeyYEXIVYUMCWKXMN-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.17
Rot. Bonds1

About 5H-indazole-3-carboxamide

5H-indazole-3-carboxamide (PubChem CID 174698890) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5H-indazole-3-carboxamide.

Molecular Properties

Compound Name5H-indazole-3-carboxamide
PubChem CID174698890
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5H-indazole-3-carboxamide
SMILESNC(=O)C1=NN=C2C=CCC=C21
InChIInChI=1S/C8H7N3O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h2-4H,1H2,(H2,9,12)
InChIKeyYEXIVYUMCWKXMN-UHFFFAOYSA-N
XLogP0.17
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-indazole-3-carboxamide?
The IUPAC name of 5H-indazole-3-carboxamide (CID 174698890) is 5H-indazole-3-carboxamide.
What is the SMILES notation for 5H-indazole-3-carboxamide?
The canonical SMILES for 5H-indazole-3-carboxamide is NC(=O)C1=NN=C2C=CCC=C21.
What is the InChIKey of 5H-indazole-3-carboxamide?
The InChIKey is YEXIVYUMCWKXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h2-4H,1H2,(H2,9,12).
What are the key properties of 5H-indazole-3-carboxamide?
5H-indazole-3-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-indazole-3-carboxamide is sourced from PubChem (CID 174698890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).