2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide

C13H21N3O — CID 90613700

IUPAC2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C13H21N3O/c1-10(2)13(17)14-7-8-16-12-6-4-3-5-11(12)9-15-16/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyUKCFWYKGCURZLC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide

2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide (PubChem CID 90613700) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
PubChem CID90613700
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C13H21N3O/c1-10(2)13(17)14-7-8-16-12-6-4-3-5-11(12)9-15-16/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyUKCFWYKGCURZLC-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
CID 90613912
N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide
CID 86804576
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90613797
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide (CID 90613700) is 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide is CC(C)C(=O)NCCn1ncc2c1CCCC2.
What is the InChIKey of 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
The InChIKey is UKCFWYKGCURZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)13(17)14-7-8-16-12-6-4-3-5-11(12)9-15-16/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 90613700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).