methyl 6-chloro-1-cyclopentylindazole-4-carboxylate

C14H15ClN2O2 — CID 67466686

IUPACmethyl 6-chloro-1-cyclopentylindazole-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c1cnn2C1CCCC1
InChIInChI=1S/C14H15ClN2O2/c1-19-14(18)11-6-9(15)7-13-12(11)8-16-17(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyDVPNZPIUKZRXIK-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.59
Rot. Bonds2

About methyl 6-chloro-1-cyclopentylindazole-4-carboxylate

methyl 6-chloro-1-cyclopentylindazole-4-carboxylate (PubChem CID 67466686) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is methyl 6-chloro-1-cyclopentylindazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1-cyclopentylindazole-4-carboxylate
PubChem CID67466686
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Namemethyl 6-chloro-1-cyclopentylindazole-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c1cnn2C1CCCC1
InChIInChI=1S/C14H15ClN2O2/c1-19-14(18)11-6-9(15)7-13-12(11)8-16-17(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyDVPNZPIUKZRXIK-UHFFFAOYSA-N
XLogP3.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1-cyclopentylindazole-4-carboxylate?
The IUPAC name of methyl 6-chloro-1-cyclopentylindazole-4-carboxylate (CID 67466686) is methyl 6-chloro-1-cyclopentylindazole-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-1-cyclopentylindazole-4-carboxylate?
The canonical SMILES for methyl 6-chloro-1-cyclopentylindazole-4-carboxylate is COC(=O)c1cc(Cl)cc2c1cnn2C1CCCC1.
What is the InChIKey of methyl 6-chloro-1-cyclopentylindazole-4-carboxylate?
The InChIKey is DVPNZPIUKZRXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-19-14(18)11-6-9(15)7-13-12(11)8-16-17(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of methyl 6-chloro-1-cyclopentylindazole-4-carboxylate?
methyl 6-chloro-1-cyclopentylindazole-4-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-1-cyclopentylindazole-4-carboxylate is sourced from PubChem (CID 67466686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).