(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone

C11H18N4O — CID 82509456

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCCn1cc(C(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C11H18N4O/c1-3-15-8-10(9(2)13-15)11(16)14-6-4-12-5-7-14/h8,12H,3-7H2,1-2H3
InChIKeyXWHLVYLWWHGVMA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.26
Rot. Bonds2

About (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone

(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 82509456) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
PubChem CID82509456
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCCn1cc(C(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C11H18N4O/c1-3-15-8-10(9(2)13-15)11(16)14-6-4-12-5-7-14/h8,12H,3-7H2,1-2H3
InChIKeyXWHLVYLWWHGVMA-UHFFFAOYSA-N
XLogP0.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone 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-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone (CID 82509456) is (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone is CCn1cc(C(=O)N2CCNCC2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is XWHLVYLWWHGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15-8-10(9(2)13-15)11(16)14-6-4-12-5-7-14/h8,12H,3-7H2,1-2H3.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone?
(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 222.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82509456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).