ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate

C11H17N3O2 — CID 83854760

IUPACethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CCC(N)C2
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)10-8-5-4-7(12)6-9(8)14(2)13-10/h7H,3-6,12H2,1-2H3
InChIKeyHRSZIUCOUSEUJM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds2

About ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate

ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate (PubChem CID 83854760) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate
PubChem CID83854760
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CCC(N)C2
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)10-8-5-4-7(12)6-9(8)14(2)13-10/h7H,3-6,12H2,1-2H3
InChIKeyHRSZIUCOUSEUJM-UHFFFAOYSA-N
XLogP0.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 83854577
3-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-6-amine
CID 142607886
5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 105448866
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 23005640
ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26132885
ethyl 1,5-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 122367862
ethyl 5-[(4-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140595
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
ethyl 1,4,5-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylate
CID 141253426
ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 166276615
CID 163748534
CID 163748534

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate?
The IUPAC name of ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate (CID 83854760) is ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate?
The canonical SMILES for ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate is CCOC(=O)c1nn(C)c2c1CCC(N)C2.
What is the InChIKey of ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate?
The InChIKey is HRSZIUCOUSEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(15)10-8-5-4-7(12)6-9(8)14(2)13-10/h7H,3-6,12H2,1-2H3.
What are the key properties of ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate?
ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate is sourced from PubChem (CID 83854760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).