methyl 4-(1H-indazole-3-carbonylamino)benzoate

C16H13N3O3 — CID 9413573

IUPACmethyl 4-(1H-indazole-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-19-14/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyNBWOBBGDKYPDNY-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.60
Rot. Bonds3

About methyl 4-(1H-indazole-3-carbonylamino)benzoate

methyl 4-(1H-indazole-3-carbonylamino)benzoate (PubChem CID 9413573) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 4-(1H-indazole-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-indazole-3-carbonylamino)benzoate
PubChem CID9413573
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl 4-(1H-indazole-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-19-14/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyNBWOBBGDKYPDNY-UHFFFAOYSA-N
XLogP2.60
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene-5-carboxylate
CID 135432839
ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 662826
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
6-fluoro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
CID 71112268
6-fluoro-1H-indazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112455
N-[4-(methylcarbamoyl)phenyl]-1H-indazole-3-carboxamide
CID 4799247
N-(p-tolyl)-1H-indazole-3-carboxamide
CID 9411754
Ethyl 1-benzoylindazole-3-carboxylate
CID 12689316
Ethyl 4-[4-(4-ethylphenyl)-3-methyl-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020121
[1-(4-methylanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 16525542
Methyl 1-benzoylindazole-3-carboxylate
CID 53357861

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indazole-3-carbonylamino)benzoate?
The IUPAC name of methyl 4-(1H-indazole-3-carbonylamino)benzoate (CID 9413573) is methyl 4-(1H-indazole-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(1H-indazole-3-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(1H-indazole-3-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of methyl 4-(1H-indazole-3-carbonylamino)benzoate?
The InChIKey is NBWOBBGDKYPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16(21)10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-19-14/h2-9H,1H3,(H,17,20)(H,18,19).
What are the key properties of methyl 4-(1H-indazole-3-carbonylamino)benzoate?
methyl 4-(1H-indazole-3-carbonylamino)benzoate has a molecular weight of 295.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-indazole-3-carbonylamino)benzoate is sourced from PubChem (CID 9413573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).