5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid

C16H15N3O3 — CID 167800698

IUPAC5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)cc1
InChIInChI=1S/C16H15N3O3/c1-22-12-5-2-10(3-6-12)9-17-11-4-7-14-13(8-11)15(16(20)21)19-18-14/h2-8,17H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRDCZCWPSBOPEFW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.88
Rot. Bonds5

About 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid

5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid (PubChem CID 167800698) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
PubChem CID167800698
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)cc1
InChIInChI=1S/C16H15N3O3/c1-22-12-5-2-10(3-6-12)9-17-11-4-7-14-13(8-11)15(16(20)21)19-18-14/h2-8,17H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRDCZCWPSBOPEFW-UHFFFAOYSA-N
XLogP2.88
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid
CID 154803065
5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid
CID 154803106
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
CID 67230913
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
5-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-1H-indazole-3-carboxylic acid
CID 168562118
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866013
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid (CID 167800698) is 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid is COc1ccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid?
The InChIKey is RDCZCWPSBOPEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-12-5-2-10(3-6-12)9-17-11-4-7-14-13(8-11)15(16(20)21)19-18-14/h2-8,17H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid?
5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 167800698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).