2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid

C11H13N3O2 — CID 84735163

IUPAC2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid
SMILESN#Cc1ccnn1C1CCCCC1C(=O)O
InChIInChI=1S/C11H13N3O2/c12-7-8-5-6-13-14(8)10-4-2-1-3-9(10)11(15)16/h5-6,9-10H,1-4H2,(H,15,16)
InChIKeyWYAZQMNZLFZUSY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.57
Rot. Bonds2

About 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid

2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 84735163) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID84735163
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid
SMILESN#Cc1ccnn1C1CCCCC1C(=O)O
InChIInChI=1S/C11H13N3O2/c12-7-8-5-6-13-14(8)10-4-2-1-3-9(10)11(15)16/h5-6,9-10H,1-4H2,(H,15,16)
InChIKeyWYAZQMNZLFZUSY-UHFFFAOYSA-N
XLogP1.57
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid (CID 84735163) is 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid is N#Cc1ccnn1C1CCCCC1C(=O)O.
What is the InChIKey of 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is WYAZQMNZLFZUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-7-8-5-6-13-14(8)10-4-2-1-3-9(10)11(15)16/h5-6,9-10H,1-4H2,(H,15,16).
What are the key properties of 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid?
2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 84735163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).