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

C15H25N3O — CID 90613712

IUPAC2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C15H25N3O/c1-3-12(4-2)15(19)16-9-10-18-14-8-6-5-7-13(14)11-17-18/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyODFHQMQQQQYNGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.31
Rot. Bonds6

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

2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide (PubChem CID 90613712) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
PubChem CID90613712
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C15H25N3O/c1-3-12(4-2)15(19)16-9-10-18-14-8-6-5-7-13(14)11-17-18/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyODFHQMQQQQYNGL-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
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
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide
CID 86804576
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
CID 90613912
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90613797
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-pentan-3-ylurea
CID 90615401

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide (CID 90613712) is 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide is CCC(CC)C(=O)NCCn1ncc2c1CCCC2.
What is the InChIKey of 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?
The InChIKey is ODFHQMQQQQYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-12(4-2)15(19)16-9-10-18-14-8-6-5-7-13(14)11-17-18/h11-12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 90613712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).