N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide

C13H21N3O — CID 86804576

IUPACN-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ncc2c1CCCC2
InChIInChI=1S/C13H21N3O/c1-3-10(2)15-13(17)9-16-12-7-5-4-6-11(12)8-14-16/h8,10H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyFGGCVVXEUQGJGT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.68
Rot. Bonds4

About N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide

N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide (PubChem CID 86804576) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide
PubChem CID86804576
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ncc2c1CCCC2
InChIInChI=1S/C13H21N3O/c1-3-10(2)15-13(17)9-16-12-7-5-4-6-11(12)8-14-16/h8,10H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyFGGCVVXEUQGJGT-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide (CID 86804576) is N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide is CCC(C)NC(=O)Cn1ncc2c1CCCC2.
What is the InChIKey of N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide?
The InChIKey is FGGCVVXEUQGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10(2)15-13(17)9-16-12-7-5-4-6-11(12)8-14-16/h8,10H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide?
N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide is sourced from PubChem (CID 86804576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).