methyl 3-cyclopentyl-1-methylindazole-5-carboxylate

C15H18N2O2 — CID 171772847

IUPACmethyl 3-cyclopentyl-1-methylindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C1CCCC1)nn2C
InChIInChI=1S/C15H18N2O2/c1-17-13-8-7-11(15(18)19-2)9-12(13)14(16-17)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyIOMQWKLXMZQLSB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.02
Rot. Bonds2

About methyl 3-cyclopentyl-1-methylindazole-5-carboxylate

methyl 3-cyclopentyl-1-methylindazole-5-carboxylate (PubChem CID 171772847) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-cyclopentyl-1-methylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-1-methylindazole-5-carboxylate
PubChem CID171772847
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 3-cyclopentyl-1-methylindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C1CCCC1)nn2C
InChIInChI=1S/C15H18N2O2/c1-17-13-8-7-11(15(18)19-2)9-12(13)14(16-17)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyIOMQWKLXMZQLSB-UHFFFAOYSA-N
XLogP3.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-1-methylindazole-5-carboxylate?
The IUPAC name of methyl 3-cyclopentyl-1-methylindazole-5-carboxylate (CID 171772847) is methyl 3-cyclopentyl-1-methylindazole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopentyl-1-methylindazole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopentyl-1-methylindazole-5-carboxylate is COC(=O)c1ccc2c(c1)c(C1CCCC1)nn2C.
What is the InChIKey of methyl 3-cyclopentyl-1-methylindazole-5-carboxylate?
The InChIKey is IOMQWKLXMZQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-13-8-7-11(15(18)19-2)9-12(13)14(16-17)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-1-methylindazole-5-carboxylate?
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-1-methylindazole-5-carboxylate is sourced from PubChem (CID 171772847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).