1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid

C11H14N4O2 — CID 69159846

IUPAC1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
SMILESCCCCn1ncc(C(=O)O)c1-n1cccn1
InChIInChI=1S/C11H14N4O2/c1-2-3-6-15-10(14-7-4-5-12-14)9(8-13-15)11(16)17/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyJFNFCNPFSZMAMO-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.57
Rot. Bonds5

About 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid

1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid (PubChem CID 69159846) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
PubChem CID69159846
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
SMILESCCCCn1ncc(C(=O)O)c1-n1cccn1
InChIInChI=1S/C11H14N4O2/c1-2-3-6-15-10(14-7-4-5-12-14)9(8-13-15)11(16)17/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyJFNFCNPFSZMAMO-UHFFFAOYSA-N
XLogP1.57
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-5-pyrazol-1-ylpyrazole-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-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid (CID 69159846) is 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid is CCCCn1ncc(C(=O)O)c1-n1cccn1.
What is the InChIKey of 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
The InChIKey is JFNFCNPFSZMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-3-6-15-10(14-7-4-5-12-14)9(8-13-15)11(16)17/h4-5,7-8H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 69159846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).