1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid

C16H20N2O2 — CID 117433819

IUPAC1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2cccc(C3(C(=O)O)CCCCC3)c12
InChIInChI=1S/C16H20N2O2/c1-11-14-12(7-6-8-13(14)18(2)17-11)16(15(19)20)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyPOWLGROGEWWJNT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.17
Rot. Bonds2

About 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid

1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 117433819) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
PubChem CID117433819
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2cccc(C3(C(=O)O)CCCCC3)c12
InChIInChI=1S/C16H20N2O2/c1-11-14-12(7-6-8-13(14)18(2)17-11)16(15(19)20)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyPOWLGROGEWWJNT-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
CID 117433820
1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid
CID 117364856
2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid
CID 117310594
1-(2,3-dimethyl-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117433800
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid
CID 82611606
1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid
CID 82626120
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
CID 65007655
1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
CID 117401849
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid (CID 117433819) is 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid is Cc1nn(C)c2cccc(C3(C(=O)O)CCCCC3)c12.
What is the InChIKey of 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is POWLGROGEWWJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-14-12(7-6-8-13(14)18(2)17-11)16(15(19)20)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid?
1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117433819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).