methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

C20H21ClN2O3 — CID 86690423

IUPACmethyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2cc(OCC(C)C)ccc2Cl)c1
InChIInChI=1S/C20H21ClN2O3/c1-13(2)12-26-17-5-6-18(21)16(9-17)11-23-19-7-4-14(20(24)25-3)8-15(19)10-22-23/h4-10,13H,11-12H2,1-3H3
InChIKeyRYZWFVQHPYQKCW-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.56
Rot. Bonds6

About methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate (PubChem CID 86690423) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
PubChem CID86690423
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Namemethyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2cc(OCC(C)C)ccc2Cl)c1
InChIInChI=1S/C20H21ClN2O3/c1-13(2)12-26-17-5-6-18(21)16(9-17)11-23-19-7-4-14(20(24)25-3)8-15(19)10-22-23/h4-10,13H,11-12H2,1-3H3
InChIKeyRYZWFVQHPYQKCW-UHFFFAOYSA-N
XLogP4.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The IUPAC name of methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate (CID 86690423) is methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate.
What is the SMILES notation for methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The canonical SMILES for methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate is COC(=O)c1ccc2c(cnn2Cc2cc(OCC(C)C)ccc2Cl)c1.
What is the InChIKey of methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The InChIKey is RYZWFVQHPYQKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13(2)12-26-17-5-6-18(21)16(9-17)11-23-19-7-4-14(20(24)25-3)8-15(19)10-22-23/h4-10,13H,11-12H2,1-3H3.
What are the key properties of methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate has a molecular weight of 372.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate is sourced from PubChem (CID 86690423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).