methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate

C17H16N2O3 — CID 146457057

IUPACmethyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
SMILESCOC(=O)c1cc(CO)cc(-c2c(C)ccc3[nH]ncc23)c1
InChIInChI=1S/C17H16N2O3/c1-10-3-4-15-14(8-18-19-15)16(10)12-5-11(9-20)6-13(7-12)17(21)22-2/h3-8,20H,9H2,1-2H3,(H,18,19)
InChIKeyLATNMHUJBFRSNX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.82
Rot. Bonds3

About methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate

methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate (PubChem CID 146457057) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
PubChem CID146457057
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
SMILESCOC(=O)c1cc(CO)cc(-c2c(C)ccc3[nH]ncc23)c1
InChIInChI=1S/C17H16N2O3/c1-10-3-4-15-14(8-18-19-15)16(10)12-5-11(9-20)6-13(7-12)17(21)22-2/h3-8,20H,9H2,1-2H3,(H,18,19)
InChIKeyLATNMHUJBFRSNX-UHFFFAOYSA-N
XLogP2.82
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate
CID 146456405
methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
CID 177042905
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
methyl 4-oxo-1H-cinnoline-6-carboxylate
CID 67119550
ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate
CID 155684775
ethane;methyl 3-amino-5-(hydroxymethyl)benzoate
CID 145485073
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575
methyl 4-[2-[6-[4-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-3,5-dimethylbenzoate
CID 159369348
methyl 3-formyl-4-[3-(hydroxymethyl)-5-methoxycarbonylphenyl]benzoate
CID 132602241
methyl 4-nitro-1H-indazole-6-carboxylate
CID 24728064
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057679
methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate
CID 172648616

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate?
The IUPAC name of methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate (CID 146457057) is methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate?
The canonical SMILES for methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate is COC(=O)c1cc(CO)cc(-c2c(C)ccc3[nH]ncc23)c1.
What is the InChIKey of methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate?
The InChIKey is LATNMHUJBFRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-3-4-15-14(8-18-19-15)16(10)12-5-11(9-20)6-13(7-12)17(21)22-2/h3-8,20H,9H2,1-2H3,(H,18,19).
What are the key properties of methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate?
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate has a molecular weight of 296.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate is sourced from PubChem (CID 146457057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).