ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate

C18H17ClN2O3 — CID 58796714

IUPACethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(Cl)cc2OC)c2ccccc12
InChIInChI=1S/C18H17ClN2O3/c1-3-24-18(22)17-14-6-4-5-7-15(14)21(20-17)11-12-8-9-13(19)10-16(12)23-2/h4-10H,3,11H2,1-2H3
InChIKeyBMKNVOHYFPXUSQ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.92
Rot. Bonds5

About ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate

ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate (PubChem CID 58796714) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate
PubChem CID58796714
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Nameethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(Cl)cc2OC)c2ccccc12
InChIInChI=1S/C18H17ClN2O3/c1-3-24-18(22)17-14-6-4-5-7-15(14)21(20-17)11-12-8-9-13(19)10-16(12)23-2/h4-10H,3,11H2,1-2H3
InChIKeyBMKNVOHYFPXUSQ-UHFFFAOYSA-N
XLogP3.92
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-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 ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate?
The IUPAC name of ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate (CID 58796714) is ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(Cl)cc2OC)c2ccccc12.
What is the InChIKey of ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate?
The InChIKey is BMKNVOHYFPXUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-3-24-18(22)17-14-6-4-5-7-15(14)21(20-17)11-12-8-9-13(19)10-16(12)23-2/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate?
ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate has a molecular weight of 344.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-chloro-2-methoxyphenyl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 58796714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).