(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'}

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Related Compounds

ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 74240927
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
(2,5-difluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]methanone
CID 59250125
[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone;hydrochloride
CID 154886724
N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
CID 12050260
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311

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).