5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid

C17H15N3O4 — CID 154793828

IUPAC5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
SMILESCOc1ccccc1CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C17H15N3O4/c1-24-14-5-3-2-4-11(14)9-18-16(21)10-6-7-13-12(8-10)15(17(22)23)20-19-13/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyIIGJSEFOIMLKKK-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.20
Rot. Bonds5

About 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid

5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid (PubChem CID 154793828) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
PubChem CID154793828
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
SMILESCOc1ccccc1CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C17H15N3O4/c1-24-14-5-3-2-4-11(14)9-18-16(21)10-6-7-13-12(8-10)15(17(22)23)20-19-13/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyIIGJSEFOIMLKKK-UHFFFAOYSA-N
XLogP2.20
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid
CID 167747989
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076883
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
2-acetyl-N-[(2-methoxyphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 53137800
2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 170858615
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171879
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
N-[(2-methoxyphenyl)methyl]-6H-indolo[2,3-b]quinoxaline-2-carboxamide
CID 6079611
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid (CID 154793828) is 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid is COc1ccccc1CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1.
What is the InChIKey of 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid?
The InChIKey is IIGJSEFOIMLKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-14-5-3-2-4-11(14)9-18-16(21)10-6-7-13-12(8-10)15(17(22)23)20-19-13/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid?
5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 154793828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).