2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid

C18H18N2O2 — CID 175247176

IUPAC2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid
SMILESCc1cc(C)cc(-c2cccc3c(CC(=O)O)n(C)nc23)c1
InChIInChI=1S/C18H18N2O2/c1-11-7-12(2)9-13(8-11)14-5-4-6-15-16(10-17(21)22)20(3)19-18(14)15/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyVMMAYAWYJBNGTD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.48
Rot. Bonds3

About 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid

2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid (PubChem CID 175247176) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid
PubChem CID175247176
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid
SMILESCc1cc(C)cc(-c2cccc3c(CC(=O)O)n(C)nc23)c1
InChIInChI=1S/C18H18N2O2/c1-11-7-12(2)9-13(8-11)14-5-4-6-15-16(10-17(21)22)20(3)19-18(14)15/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyVMMAYAWYJBNGTD-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582
2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid
CID 68614458
3-(3-ethyl-2-methylindazol-7-yl)propanoic acid
CID 105491048
3-(3,5-dimethylphenyl)-2-methylbenzoic acid
CID 53225284
2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid
CID 84605486
2-(1,7-dimethylindazol-3-yl)acetic acid
CID 83908649
ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate
CID 58988264
N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine
CID 69152416
2-[2-[(4-methylphenyl)methyl]benzotriazol-5-yl]acetic acid
CID 83968747
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine
CID 89129673
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid?
The IUPAC name of 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid (CID 175247176) is 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid?
The canonical SMILES for 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid is Cc1cc(C)cc(-c2cccc3c(CC(=O)O)n(C)nc23)c1.
What is the InChIKey of 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid?
The InChIKey is VMMAYAWYJBNGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-7-12(2)9-13(8-11)14-5-4-6-15-16(10-17(21)22)20(3)19-18(14)15/h4-9H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid?
2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid is sourced from PubChem (CID 175247176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).