N-methyl-2-(5-propylindazol-1-yl)acetamide

C13H17N3O — CID 156799155

IUPACN-methyl-2-(5-propylindazol-1-yl)acetamide
SMILESCCCc1ccc2c(cnn2CC(=O)NC)c1
InChIInChI=1S/C13H17N3O/c1-3-4-10-5-6-12-11(7-10)8-15-16(12)9-13(17)14-2/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyVRMJDGBYZVRGOQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-2-(5-propylindazol-1-yl)acetamide

N-methyl-2-(5-propylindazol-1-yl)acetamide (PubChem CID 156799155) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-2-(5-propylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-propylindazol-1-yl)acetamide
PubChem CID156799155
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-2-(5-propylindazol-1-yl)acetamide
SMILESCCCc1ccc2c(cnn2CC(=O)NC)c1
InChIInChI=1S/C13H17N3O/c1-3-4-10-5-6-12-11(7-10)8-15-16(12)9-13(17)14-2/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyVRMJDGBYZVRGOQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-propylindazol-1-yl)acetamide?
The IUPAC name of N-methyl-2-(5-propylindazol-1-yl)acetamide (CID 156799155) is N-methyl-2-(5-propylindazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(5-propylindazol-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(5-propylindazol-1-yl)acetamide is CCCc1ccc2c(cnn2CC(=O)NC)c1.
What is the InChIKey of N-methyl-2-(5-propylindazol-1-yl)acetamide?
The InChIKey is VRMJDGBYZVRGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-4-10-5-6-12-11(7-10)8-15-16(12)9-13(17)14-2/h5-8H,3-4,9H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-(5-propylindazol-1-yl)acetamide?
N-methyl-2-(5-propylindazol-1-yl)acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-propylindazol-1-yl)acetamide is sourced from PubChem (CID 156799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).