2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid

C17H22N2O2 — CID 63073741

IUPAC2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(n2ncc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c1-2-5-12-8-9-14(17(20)21)16(10-12)19-15-7-4-3-6-13(15)11-18-19/h3-4,6-7,11-12,14,16H,2,5,8-10H2,1H3,(H,20,21)
InChIKeyKRBMHZHBACOVPJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.88
Rot. Bonds4

About 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid

2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63073741) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid
PubChem CID63073741
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(n2ncc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c1-2-5-12-8-9-14(17(20)21)16(10-12)19-15-7-4-3-6-13(15)11-18-19/h3-4,6-7,11-12,14,16H,2,5,8-10H2,1H3,(H,20,21)
InChIKeyKRBMHZHBACOVPJ-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-indazol-1-yl-4-propylcyclohexan-1-ol
CID 55040790
2-indazol-1-yl-4-propylcyclohexan-1-amine
CID 55040739
4-ethyl-2-indazol-1-ylcyclohexan-1-amine
CID 62139994
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
2-(2-phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylic acid
CID 53426464
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
4-propyl-2-(2-propylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021224
2-indazol-1-ylcycloheptan-1-amine
CID 55040785
4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114597377
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid (CID 63073741) is 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(n2ncc3ccccc32)C1.
What is the InChIKey of 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is KRBMHZHBACOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-5-12-8-9-14(17(20)21)16(10-12)19-15-7-4-3-6-13(15)11-18-19/h3-4,6-7,11-12,14,16H,2,5,8-10H2,1H3,(H,20,21).
What are the key properties of 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid?
2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63073741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).