(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate

C18H16N2O4 — CID 2636122

IUPAC(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-11(21)12-7-8-16(23-2)13(9-12)10-24-18(22)17-14-5-3-4-6-15(14)19-20-17/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHGTLXRLMTGTUAU-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.13
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate

(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate (PubChem CID 2636122) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
PubChem CID2636122
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-11(21)12-7-8-16(23-2)13(9-12)10-24-18(22)17-14-5-3-4-6-15(14)19-20-17/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHGTLXRLMTGTUAU-UHFFFAOYSA-N
XLogP3.13
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-acetyl-2-methoxyphenyl)methyl 1H-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

Related Compounds

(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7270576
(5-acetyl-2-methoxyphenyl)methyl 1-methylindole-3-carboxylate
CID 46822526
(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33125580
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 4783540
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573504
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1H-indazole-3-carboxylate
CID 7372505
(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 4544484
(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate
CID 4804236
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate (CID 2636122) is (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
The InChIKey is HGTLXRLMTGTUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)12-7-8-16(23-2)13(9-12)10-24-18(22)17-14-5-3-4-6-15(14)19-20-17/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 2636122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).