(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone

C20H27FN4O2 — CID 74248574

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H27FN4O2/c1-3-25-16(2)19(15-22-25)20(26)24-12-10-23(11-13-24)9-4-14-27-18-7-5-17(21)6-8-18/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyHJWPXAMZGSMTMC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds7

About (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone (PubChem CID 74248574) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
PubChem CID74248574
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H27FN4O2/c1-3-25-16(2)19(15-22-25)20(26)24-12-10-23(11-13-24)9-4-14-27-18-7-5-17(21)6-8-18/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyHJWPXAMZGSMTMC-UHFFFAOYSA-N
XLogP2.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-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 (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone (CID 74248574) is (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone is CCn1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is HJWPXAMZGSMTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-3-25-16(2)19(15-22-25)20(26)24-12-10-23(11-13-24)9-4-14-27-18-7-5-17(21)6-8-18/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 374.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 74248574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).