3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid

C16H15N3O2 — CID 39218620

IUPAC3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
SMILESCN(C)c1cccc(-c2n[nH]c3cccc(C(=O)O)c23)c1
InChIInChI=1S/C16H15N3O2/c1-19(2)11-6-3-5-10(9-11)15-14-12(16(20)21)7-4-8-13(14)17-18-15/h3-9H,1-2H3,(H,17,18)(H,20,21)
InChIKeyHPYQWMUJYUAOQQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.99
Rot. Bonds3

About 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid

3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid (PubChem CID 39218620) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
PubChem CID39218620
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
SMILESCN(C)c1cccc(-c2n[nH]c3cccc(C(=O)O)c23)c1
InChIInChI=1S/C16H15N3O2/c1-19(2)11-6-3-5-10(9-11)15-14-12(16(20)21)7-4-8-13(14)17-18-15/h3-9H,1-2H3,(H,17,18)(H,20,21)
InChIKeyHPYQWMUJYUAOQQ-UHFFFAOYSA-N
XLogP2.99
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293
2-[3-(dimethylamino)phenyl]benzoic acid
CID 39226074
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-4-carboxylic acid
CID 39219895
3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220103
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
1H-indazole-3,4-dicarboxylic acid
CID 24728738
3-thiophen-2-yl-1H-indazole-4-carboxylic acid
CID 39218203
3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220194
2-(dimethylamino)benzene-1,3-dicarboxylic acid
CID 22767033
2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid
CID 69175213
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
CID 22260698
3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline
CID 118529608

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid (CID 39218620) is 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid is CN(C)c1cccc(-c2n[nH]c3cccc(C(=O)O)c23)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid?
The InChIKey is HPYQWMUJYUAOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(2)11-6-3-5-10(9-11)15-14-12(16(20)21)7-4-8-13(14)17-18-15/h3-9H,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid?
3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 39218620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).