methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

C12H16N2O2 — CID 71223230

IUPACmethyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
SMILESCOC(=O)C1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)8-4-5-10-9(6-8)11(14-13-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeySVJUGGPMGRDVBL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.57
Rot. Bonds2

About methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate (PubChem CID 71223230) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
PubChem CID71223230
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
SMILESCOC(=O)C1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)8-4-5-10-9(6-8)11(14-13-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeySVJUGGPMGRDVBL-UHFFFAOYSA-N
XLogP1.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate (CID 71223230) is methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is COC(=O)C1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The InChIKey is SVJUGGPMGRDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)8-4-5-10-9(6-8)11(14-13-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is sourced from PubChem (CID 71223230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).