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

C10H15N3O2 — CID 105462926

IUPACmethyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate
SMILESCOC(=O)C1CCc2c(c(N)nn2C)C1
InChIInChI=1S/C10H15N3O2/c1-13-8-4-3-6(10(14)15-2)5-7(8)9(11)12-13/h6H,3-5H2,1-2H3,(H2,11,12)
InChIKeyJYLSHFBLCNGHEL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.28
Rot. Bonds1

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

methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate (PubChem CID 105462926) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate
PubChem CID105462926
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate
SMILESCOC(=O)C1CCc2c(c(N)nn2C)C1
InChIInChI=1S/C10H15N3O2/c1-13-8-4-3-6(10(14)15-2)5-7(8)9(11)12-13/h6H,3-5H2,1-2H3,(H2,11,12)
InChIKeyJYLSHFBLCNGHEL-UHFFFAOYSA-N
XLogP0.28
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
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carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
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5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 105448866
methyl 1-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate;methyl 3-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate
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CID 129091507

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate (CID 105462926) is methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate is COC(=O)C1CCc2c(c(N)nn2C)C1.
What is the InChIKey of methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate?
The InChIKey is JYLSHFBLCNGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-8-4-3-6(10(14)15-2)5-7(8)9(11)12-13/h6H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate?
methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate is sourced from PubChem (CID 105462926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).