1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C12H19N3O2 — CID 56723540

IUPAC1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCNC1CCc2c(c(C(=O)O)nn2CC)C1
InChIInChI=1S/C12H19N3O2/c1-3-13-8-5-6-10-9(7-8)11(12(16)17)14-15(10)4-2/h8,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyJARDHBOGJURWAO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds4

About 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 56723540) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID56723540
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCNC1CCc2c(c(C(=O)O)nn2CC)C1
InChIInChI=1S/C12H19N3O2/c1-3-13-8-5-6-10-9(7-8)11(12(16)17)14-15(10)4-2/h8,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyJARDHBOGJURWAO-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-1-ethyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95206034
1-ethyl-5-(oxan-4-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56711868
(5S)-1-ethyl-5-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95197924
1-ethyl-5-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56710092
1-ethyl-5-[2-[(3-methyl-2-pyridinyl)amino]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56721253
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
1-ethyl-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56708427
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26228789
[5-(cyclooctylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45165260
5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162613
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 56723540) is 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCNC1CCc2c(c(C(=O)O)nn2CC)C1.
What is the InChIKey of 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is JARDHBOGJURWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-13-8-5-6-10-9(7-8)11(12(16)17)14-15(10)4-2/h8,13H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 56723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).