methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate

C10H14N2O2 — CID 167723772

IUPACmethyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate
SMILESCOC(=O)C1CCCc2cn(C)nc21
InChIInChI=1S/C10H14N2O2/c1-12-6-7-4-3-5-8(9(7)11-12)10(13)14-2/h6,8H,3-5H2,1-2H3
InChIKeyNUWIJNWFAVUTEI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds1

About methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate

methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate (PubChem CID 167723772) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate
PubChem CID167723772
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate
SMILESCOC(=O)C1CCCc2cn(C)nc21
InChIInChI=1S/C10H14N2O2/c1-12-6-7-4-3-5-8(9(7)11-12)10(13)14-2/h6,8H,3-5H2,1-2H3
InChIKeyNUWIJNWFAVUTEI-UHFFFAOYSA-N
XLogP1.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate?
The IUPAC name of methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate (CID 167723772) is methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate?
The canonical SMILES for methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate is COC(=O)C1CCCc2cn(C)nc21.
What is the InChIKey of methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate?
The InChIKey is NUWIJNWFAVUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-6-7-4-3-5-8(9(7)11-12)10(13)14-2/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate?
methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate is sourced from PubChem (CID 167723772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).