N-[3-(4-methylindazol-1-yl)propyl]acetamide

C13H17N3O — CID 56731642

IUPACN-[3-(4-methylindazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1ncc2c(C)cccc21
InChIInChI=1S/C13H17N3O/c1-10-5-3-6-13-12(10)9-15-16(13)8-4-7-14-11(2)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,17)
InChIKeyIVCXNORWVPJKDZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.87
Rot. Bonds4

About N-[3-(4-methylindazol-1-yl)propyl]acetamide

N-[3-(4-methylindazol-1-yl)propyl]acetamide (PubChem CID 56731642) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[3-(4-methylindazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylindazol-1-yl)propyl]acetamide
PubChem CID56731642
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[3-(4-methylindazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1ncc2c(C)cccc21
InChIInChI=1S/C13H17N3O/c1-10-5-3-6-13-12(10)9-15-16(13)8-4-7-14-11(2)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,17)
InChIKeyIVCXNORWVPJKDZ-UHFFFAOYSA-N
XLogP1.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylindazol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(4-methylindazol-1-yl)propyl]acetamide (CID 56731642) is N-[3-(4-methylindazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-methylindazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(4-methylindazol-1-yl)propyl]acetamide is CC(=O)NCCCn1ncc2c(C)cccc21.
What is the InChIKey of N-[3-(4-methylindazol-1-yl)propyl]acetamide?
The InChIKey is IVCXNORWVPJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-5-3-6-13-12(10)9-15-16(13)8-4-7-14-11(2)17/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(4-methylindazol-1-yl)propyl]acetamide?
N-[3-(4-methylindazol-1-yl)propyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylindazol-1-yl)propyl]acetamide is sourced from PubChem (CID 56731642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).