1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid

C15H16BrN3O2 — CID 65348133

IUPAC1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Br)cn2)nc1C1CCCCC1
InChIInChI=1S/C15H16BrN3O2/c16-11-6-7-13(17-8-11)19-9-12(15(20)21)14(18-19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,20,21)
InChIKeyPWWMBUDWYZEYRP-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.78
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid

1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid (PubChem CID 65348133) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid
PubChem CID65348133
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Br)cn2)nc1C1CCCCC1
InChIInChI=1S/C15H16BrN3O2/c16-11-6-7-13(17-8-11)19-9-12(15(20)21)14(18-19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,20,21)
InChIKeyPWWMBUDWYZEYRP-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-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 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid (CID 65348133) is 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Br)cn2)nc1C1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid?
The InChIKey is PWWMBUDWYZEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-6-7-13(17-8-11)19-9-12(15(20)21)14(18-19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,20,21).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid?
1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid has a molecular weight of 350.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid is sourced from PubChem (CID 65348133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).