3-(5-chloroindazol-1-yl)propanamide

C10H10ClN3O — CID 14088732

IUPAC3-(5-chloroindazol-1-yl)propanamide
SMILESNC(=O)CCn1ncc2cc(Cl)ccc21
InChIInChI=1S/C10H10ClN3O/c11-8-1-2-9-7(5-8)6-13-14(9)4-3-10(12)15/h1-2,5-6H,3-4H2,(H2,12,15)
InChIKeyBOEZHCOICLVOTD-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.57
Rot. Bonds3

About 3-(5-chloroindazol-1-yl)propanamide

3-(5-chloroindazol-1-yl)propanamide (PubChem CID 14088732) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-(5-chloroindazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-chloroindazol-1-yl)propanamide
PubChem CID14088732
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-(5-chloroindazol-1-yl)propanamide
SMILESNC(=O)CCn1ncc2cc(Cl)ccc21
InChIInChI=1S/C10H10ClN3O/c11-8-1-2-9-7(5-8)6-13-14(9)4-3-10(12)15/h1-2,5-6H,3-4H2,(H2,12,15)
InChIKeyBOEZHCOICLVOTD-UHFFFAOYSA-N
XLogP1.57
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindazol-1-yl)propanamide?
The IUPAC name of 3-(5-chloroindazol-1-yl)propanamide (CID 14088732) is 3-(5-chloroindazol-1-yl)propanamide.
What is the SMILES notation for 3-(5-chloroindazol-1-yl)propanamide?
The canonical SMILES for 3-(5-chloroindazol-1-yl)propanamide is NC(=O)CCn1ncc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloroindazol-1-yl)propanamide?
The InChIKey is BOEZHCOICLVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-1-2-9-7(5-8)6-13-14(9)4-3-10(12)15/h1-2,5-6H,3-4H2,(H2,12,15).
What are the key properties of 3-(5-chloroindazol-1-yl)propanamide?
3-(5-chloroindazol-1-yl)propanamide has a molecular weight of 223.66 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindazol-1-yl)propanamide is sourced from PubChem (CID 14088732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).