2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid

C18H19N3O2 — CID 174672493

IUPAC2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid
SMILESCN(C)Cc1ccc(-n2cc3cccc(CC(=O)O)c3n2)cc1
InChIInChI=1S/C18H19N3O2/c1-20(2)11-13-6-8-16(9-7-13)21-12-15-5-3-4-14(10-17(22)23)18(15)19-21/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyXJRXXKOASVATGJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds5

About 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid

2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid (PubChem CID 174672493) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid
PubChem CID174672493
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid
SMILESCN(C)Cc1ccc(-n2cc3cccc(CC(=O)O)c3n2)cc1
InChIInChI=1S/C18H19N3O2/c1-20(2)11-13-6-8-16(9-7-13)21-12-15-5-3-4-14(10-17(22)23)18(15)19-21/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyXJRXXKOASVATGJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
2-[1-Phenyl-3-[4-(2-phenylethynyl)phenyl]pyrazol-4-yl]acetic acid
CID 71458972
2-[1-[Bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624967
2-[1-[Bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624969
2-[1-[Bis(4-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-5-methylpyrazol-4-yl]acetic acid
CID 73348867
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-methylindazol-5-yl]acetic acid
CID 118715118
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylindazol-5-yl]acetic acid
CID 118715119
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733
1-(4-(5-Benzyl-2h-indazol-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 24850258
1-[4-(Aminocarbonyl)-2-methylphenyl]-5-[4-(1h-pyrazol-1-yl)phenyl]-1h-pyrrole-2-propanoic acid
CID 46181894
2-(5-Methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid
CID 67607241
Pyrazole-4-acetic acid, 3-methyl-1,5-diphenyl-
CID 619059

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid?
The IUPAC name of 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid (CID 174672493) is 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid?
The canonical SMILES for 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid is CN(C)Cc1ccc(-n2cc3cccc(CC(=O)O)c3n2)cc1.
What is the InChIKey of 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid?
The InChIKey is XJRXXKOASVATGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20(2)11-13-6-8-16(9-7-13)21-12-15-5-3-4-14(10-17(22)23)18(15)19-21/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid?
2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(dimethylamino)methyl]phenyl]indazol-7-yl]acetic acid is sourced from PubChem (CID 174672493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).