methyl 2-cyclopentylindazole-6-carboxylate

C14H16N2O2 — CID 54059647

IUPACmethyl 2-cyclopentylindazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(C3CCCC3)nc2c1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)10-6-7-11-9-16(15-13(11)8-10)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyLYTJHSRWUNHCEB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds2

About methyl 2-cyclopentylindazole-6-carboxylate

methyl 2-cyclopentylindazole-6-carboxylate (PubChem CID 54059647) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-cyclopentylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopentylindazole-6-carboxylate
PubChem CID54059647
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-cyclopentylindazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(C3CCCC3)nc2c1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)10-6-7-11-9-16(15-13(11)8-10)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyLYTJHSRWUNHCEB-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-cyclopentylindazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
methyl 2-methoxyindazole-6-carboxylate
CID 141268418
methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
CID 175973045
2-cyclopentyl-6-propan-2-ylindazole
CID 158645182
methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
CID 107344569
2-cyclobutylindazol-6-amine
CID 90309050
formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate
CID 155751827
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
CID 169188076
methyl 2-(3-piperazin-1-yl-1-bicyclo[1.1.1]pentanyl)indazole-6-carboxylate
CID 175973005

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentylindazole-6-carboxylate?
The IUPAC name of methyl 2-cyclopentylindazole-6-carboxylate (CID 54059647) is methyl 2-cyclopentylindazole-6-carboxylate.
What is the SMILES notation for methyl 2-cyclopentylindazole-6-carboxylate?
The canonical SMILES for methyl 2-cyclopentylindazole-6-carboxylate is COC(=O)c1ccc2cn(C3CCCC3)nc2c1.
What is the InChIKey of methyl 2-cyclopentylindazole-6-carboxylate?
The InChIKey is LYTJHSRWUNHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)10-6-7-11-9-16(15-13(11)8-10)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3.
What are the key properties of methyl 2-cyclopentylindazole-6-carboxylate?
methyl 2-cyclopentylindazole-6-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentylindazole-6-carboxylate is sourced from PubChem (CID 54059647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).