3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid

C15H17N3O3 — CID 156503098

IUPAC3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
SMILESNC(=O)c1nn(C(=O)O)c2cccc(C3CCCCC3)c12
InChIInChI=1S/C15H17N3O3/c16-14(19)13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)18(17-13)15(20)21/h4,7-9H,1-3,5-6H2,(H2,16,19)(H,20,21)
InChIKeyGXUJWFCZRMFUKT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.71
Rot. Bonds2

About 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid

3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid (PubChem CID 156503098) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
PubChem CID156503098
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
SMILESNC(=O)c1nn(C(=O)O)c2cccc(C3CCCCC3)c12
InChIInChI=1S/C15H17N3O3/c16-14(19)13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)18(17-13)15(20)21/h4,7-9H,1-3,5-6H2,(H2,16,19)(H,20,21)
InChIKeyGXUJWFCZRMFUKT-UHFFFAOYSA-N
XLogP2.71
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid?
The IUPAC name of 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid (CID 156503098) is 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid?
The canonical SMILES for 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid is NC(=O)c1nn(C(=O)O)c2cccc(C3CCCCC3)c12.
What is the InChIKey of 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid?
The InChIKey is GXUJWFCZRMFUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-14(19)13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)18(17-13)15(20)21/h4,7-9H,1-3,5-6H2,(H2,16,19)(H,20,21).
What are the key properties of 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid?
3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid is sourced from PubChem (CID 156503098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).