pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone

C10H12N4O — CID 139236856

IUPACpyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
SMILESCc1nn(C)c(C(=O)n2cccn2)c1C
InChIInChI=1S/C10H12N4O/c1-7-8(2)12-13(3)9(7)10(15)14-6-4-5-11-14/h4-6H,1-3H3
InChIKeyPDWUIXQNCUANCC-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.92
Rot. Bonds1

About pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone

pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone (PubChem CID 139236856) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Namepyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
PubChem CID139236856
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Namepyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
SMILESCc1nn(C)c(C(=O)n2cccn2)c1C
InChIInChI=1S/C10H12N4O/c1-7-8(2)12-13(3)9(7)10(15)14-6-4-5-11-14/h4-6H,1-3H3
InChIKeyPDWUIXQNCUANCC-UHFFFAOYSA-N
XLogP0.92
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone 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 pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone?
The IUPAC name of pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone (CID 139236856) is pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone.
What is the SMILES notation for pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone?
The canonical SMILES for pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone is Cc1nn(C)c(C(=O)n2cccn2)c1C.
What is the InChIKey of pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone?
The InChIKey is PDWUIXQNCUANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-8(2)12-13(3)9(7)10(15)14-6-4-5-11-14/h4-6H,1-3H3.
What are the key properties of pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone?
pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 139236856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).