(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone

C17H28N4O — CID 72837249

IUPAC(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C17H28N4O/c1-3-8-21-14(2)16(13-18-21)17(22)20-11-9-19(10-12-20)15-6-4-5-7-15/h13,15H,3-12H2,1-2H3
InChIKeyKCISPZFXZYTIJC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.30
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 72837249) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID72837249
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C17H28N4O/c1-3-8-21-14(2)16(13-18-21)17(22)20-11-9-19(10-12-20)15-6-4-5-7-15/h13,15H,3-12H2,1-2H3
InChIKeyKCISPZFXZYTIJC-UHFFFAOYSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-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 (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone (CID 72837249) is (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone is CCCn1ncc(C(=O)N2CCN(C3CCCC3)CC2)c1C.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is KCISPZFXZYTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-8-21-14(2)16(13-18-21)17(22)20-11-9-19(10-12-20)15-6-4-5-7-15/h13,15H,3-12H2,1-2H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 72837249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).