propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate

C19H18N2O4 — CID 56683509

IUPACpropan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate
SMILESCOc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3ccccc32)c1
InChIInChI=1S/C19H18N2O4/c1-12(2)25-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)13-7-6-8-14(11-13)24-3/h4-12H,1-3H3
InChIKeyTXZCBWAYJDYCAO-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.30
Rot. Bonds4

About propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate

propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate (PubChem CID 56683509) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate
PubChem CID56683509
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namepropan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate
SMILESCOc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3ccccc32)c1
InChIInChI=1S/C19H18N2O4/c1-12(2)25-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)13-7-6-8-14(11-13)24-3/h4-12H,1-3H3
InChIKeyTXZCBWAYJDYCAO-UHFFFAOYSA-N
XLogP3.30
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 1-(3-methoxybenzoyl)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 propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The IUPAC name of propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate (CID 56683509) is propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The canonical SMILES for propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate is COc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3ccccc32)c1.
What is the InChIKey of propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The InChIKey is TXZCBWAYJDYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(2)25-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)13-7-6-8-14(11-13)24-3/h4-12H,1-3H3.
What are the key properties of propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(3-methoxybenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 56683509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).