1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole

C12H14N6O — CID 24999461

IUPAC1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
SMILESCOCC(n1cccn1)(n1cccn1)n1cccn1
InChIInChI=1S/C12H14N6O/c1-19-11-12(16-8-2-5-13-16,17-9-3-6-14-17)18-10-4-7-15-18/h2-10H,11H2,1H3
InChIKeyIUYUJCIZCYBXAE-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.63
Rot. Bonds5

About 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole

1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole (PubChem CID 24999461) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
PubChem CID24999461
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
SMILESCOCC(n1cccn1)(n1cccn1)n1cccn1
InChIInChI=1S/C12H14N6O/c1-19-11-12(16-8-2-5-13-16,17-9-3-6-14-17)18-10-4-7-15-18/h2-10H,11H2,1H3
InChIKeyIUYUJCIZCYBXAE-UHFFFAOYSA-N
XLogP0.63
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole 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-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The IUPAC name of 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole (CID 24999461) is 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole.
What is the SMILES notation for 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The canonical SMILES for 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole is COCC(n1cccn1)(n1cccn1)n1cccn1.
What is the InChIKey of 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The InChIKey is IUYUJCIZCYBXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-19-11-12(16-8-2-5-13-16,17-9-3-6-14-17)18-10-4-7-15-18/h2-10H,11H2,1H3.
What are the key properties of 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole has a molecular weight of 258.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole is sourced from PubChem (CID 24999461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).