1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid

C16H20N2O2 — CID 117433820

IUPAC1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2cc(C3(C(=O)O)CCCCC3)ccc12
InChIInChI=1S/C16H20N2O2/c1-11-13-7-6-12(10-14(13)18(2)17-11)16(15(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyVIOCKAINIAOQAS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.17
Rot. Bonds2

About 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid

1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid (PubChem CID 117433820) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
PubChem CID117433820
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2cc(C3(C(=O)O)CCCCC3)ccc12
InChIInChI=1S/C16H20N2O2/c1-11-13-7-6-12(10-14(13)18(2)17-11)16(15(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyVIOCKAINIAOQAS-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-(3-bromo-1-methylindazol-6-yl)cyclobutane-1-carboxylic acid
CID 117493871
1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
CID 117433819
1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid
CID 82626120
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid
CID 82611606
1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium
CID 58954909
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117369870
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
CID 96802129

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid (CID 117433820) is 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid is Cc1nn(C)c2cc(C3(C(=O)O)CCCCC3)ccc12.
What is the InChIKey of 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VIOCKAINIAOQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-13-7-6-12(10-14(13)18(2)17-11)16(15(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid?
1-(1,3-dimethylindazol-6-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-6-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117433820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).