(2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C17H28N4O — CID 53193395

IUPAC(2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C17H28N4O/c1-2-21-16(8-10-18-21)17(22)20-13-4-3-7-15(20)9-14-19-11-5-6-12-19/h8,10,15H,2-7,9,11-14H2,1H3
InChIKeyRKSMRFDRBHMUCS-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.38
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193395) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID53193395
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C17H28N4O/c1-2-21-16(8-10-18-21)17(22)20-13-4-3-7-15(20)9-14-19-11-5-6-12-19/h8,10,15H,2-7,9,11-14H2,1H3
InChIKeyRKSMRFDRBHMUCS-UHFFFAOYSA-N
XLogP2.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-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 (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 53193395) is (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCCC1CCN1CCCC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is RKSMRFDRBHMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-21-16(8-10-18-21)17(22)20-13-4-3-7-15(20)9-14-19-11-5-6-12-19/h8,10,15H,2-7,9,11-14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).