5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C16H28N4O2 — CID 45162613

IUPAC5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCOCCCNC1CCc2c(c(C(=O)NC)nn2CC)C1
InChIInChI=1S/C16H28N4O2/c1-4-20-14-8-7-12(18-9-6-10-22-5-2)11-13(14)15(19-20)16(21)17-3/h12,18H,4-11H2,1-3H3,(H,17,21)
InChIKeySTOJHMNYAFDKBK-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.14
Rot. Bonds8

About 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45162613) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45162613
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCOCCCNC1CCc2c(c(C(=O)NC)nn2CC)C1
InChIInChI=1S/C16H28N4O2/c1-4-20-14-8-7-12(18-9-6-10-22-5-2)11-13(14)15(19-20)16(21)17-3/h12,18H,4-11H2,1-3H3,(H,17,21)
InChIKeySTOJHMNYAFDKBK-UHFFFAOYSA-N
XLogP1.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26228743
[5-(3-ethoxypropylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45160130
(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 28737608
1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56723540
(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26229502
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
5-(2-acetamidoethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160583
1-benzyl-N-ethyl-5-(3-hydroxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164384
(5S)-N-benzyl-5-(3-ethoxypropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143065
1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164082
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45162613) is 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCOCCCNC1CCc2c(c(C(=O)NC)nn2CC)C1.
What is the InChIKey of 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is STOJHMNYAFDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-20-14-8-7-12(18-9-6-10-22-5-2)11-13(14)15(19-20)16(21)17-3/h12,18H,4-11H2,1-3H3,(H,17,21).
What are the key properties of 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45162613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).