3-indazol-1-ylpropanamide

C10H11N3O — CID 4083747

IUPAC3-indazol-1-ylpropanamide
SMILESNC(=O)CCn1ncc2ccccc21
InChIInChI=1S/C10H11N3O/c11-10(14)5-6-13-9-4-2-1-3-8(9)7-12-13/h1-4,7H,5-6H2,(H2,11,14)
InChIKeyVHIIRJSKNVNIAQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.91
Rot. Bonds3

About 3-indazol-1-ylpropanamide

3-indazol-1-ylpropanamide (PubChem CID 4083747) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-indazol-1-ylpropanamide.

Molecular Properties

Compound Name3-indazol-1-ylpropanamide
PubChem CID4083747
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-indazol-1-ylpropanamide
SMILESNC(=O)CCn1ncc2ccccc21
InChIInChI=1S/C10H11N3O/c11-10(14)5-6-13-9-4-2-1-3-8(9)7-12-13/h1-4,7H,5-6H2,(H2,11,14)
InChIKeyVHIIRJSKNVNIAQ-UHFFFAOYSA-N
XLogP0.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpropanamide?
The IUPAC name of 3-indazol-1-ylpropanamide (CID 4083747) is 3-indazol-1-ylpropanamide.
What is the SMILES notation for 3-indazol-1-ylpropanamide?
The canonical SMILES for 3-indazol-1-ylpropanamide is NC(=O)CCn1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylpropanamide?
The InChIKey is VHIIRJSKNVNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(14)5-6-13-9-4-2-1-3-8(9)7-12-13/h1-4,7H,5-6H2,(H2,11,14).
What are the key properties of 3-indazol-1-ylpropanamide?
3-indazol-1-ylpropanamide has a molecular weight of 189.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpropanamide is sourced from PubChem (CID 4083747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).