methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate

C10H14N2O2 — CID 129091507

IUPACmethyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate
SMILESCOC(=O)C1CCc2c(n[nH]c2C)C1
InChIInChI=1S/C10H14N2O2/c1-6-8-4-3-7(10(13)14-2)5-9(8)12-11-6/h7H,3-5H2,1-2H3,(H,11,12)
InChIKeyKKGFILZBMWDCQS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.00
Rot. Bonds1

About methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate

methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate (PubChem CID 129091507) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate
PubChem CID129091507
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate
SMILESCOC(=O)C1CCc2c(n[nH]c2C)C1
InChIInChI=1S/C10H14N2O2/c1-6-8-4-3-7(10(13)14-2)5-9(8)12-11-6/h7H,3-5H2,1-2H3,(H,11,12)
InChIKeyKKGFILZBMWDCQS-UHFFFAOYSA-N
XLogP1.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate?
The IUPAC name of methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate (CID 129091507) is methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate is COC(=O)C1CCc2c(n[nH]c2C)C1.
What is the InChIKey of methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate?
The InChIKey is KKGFILZBMWDCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-8-4-3-7(10(13)14-2)5-9(8)12-11-6/h7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate?
methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate is sourced from PubChem (CID 129091507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).