1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 56816694

IUPAC1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-8-10(16(2)15-9)11(17)14-13(12(18)19)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyAMXDUOJFOHQUSE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds3

About 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 56816694) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID56816694
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-8-10(16(2)15-9)11(17)14-13(12(18)19)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyAMXDUOJFOHQUSE-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 56816694) is 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCCCC2)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AMXDUOJFOHQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-8-10(16(2)15-9)11(17)14-13(12(18)19)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 56816694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).