2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole

C30H35ClF2N8O2 — CID 161372752

IUPAC2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole
SMILESO=C(CCl)N1CCN(c2ccc(F)cc2)CC1.O=C(Cn1cccn1)N1CCN(c2ccc(F)cc2)CC1.c1cn[nH]c1
InChIInChI=1S/C15H17FN4O.C12H14ClFN2O.C3H4N2/c16-13-2-4-14(5-3-13)18-8-10-19(11-9-18)15(21)12-20-7-1-6-17-20;13-9-12(17)16-7-5-15(6-8-16)11-3-1-10(14)2-4-11;1-2-4-5-3-1/h1-7H,8-12H2;1-4H,5-9H2;1-3H,(H,4,5)
InChIKeyVQRGWMFDYNSGHP-UHFFFAOYSA-N
MW613.11 g/mol
LogP3.49
Rot. Bonds5

About 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole

2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole (PubChem CID 161372752) has the molecular formula C30H35ClF2N8O2 and a molecular weight of 613.11 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole.

Molecular Properties

Compound Name2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole
PubChem CID161372752
Molecular FormulaC30H35ClF2N8O2
Molecular Weight613.11 g/mol
Exact Mass612.25
IUPAC Name2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole
SMILESO=C(CCl)N1CCN(c2ccc(F)cc2)CC1.O=C(Cn1cccn1)N1CCN(c2ccc(F)cc2)CC1.c1cn[nH]c1
InChIInChI=1S/C15H17FN4O.C12H14ClFN2O.C3H4N2/c16-13-2-4-14(5-3-13)18-8-10-19(11-9-18)15(21)12-20-7-1-6-17-20;13-9-12(17)16-7-5-15(6-8-16)11-3-1-10(14)2-4-11;1-2-4-5-3-1/h1-7H,8-12H2;1-4H,5-9H2;1-3H,(H,4,5)
InChIKeyVQRGWMFDYNSGHP-UHFFFAOYSA-N
XLogP3.49
TPSA93.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.11
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 158582450
2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanone;4-(trifluoromethyl)-1H-pyrazole
CID 162184665
2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;methane;1H-pyrazole
CID 159960431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole?
The IUPAC name of 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole (CID 161372752) is 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole.
What is the SMILES notation for 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole?
The canonical SMILES for 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole is O=C(CCl)N1CCN(c2ccc(F)cc2)CC1.O=C(Cn1cccn1)N1CCN(c2ccc(F)cc2)CC1.c1cn[nH]c1.
What is the InChIKey of 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole?
The InChIKey is VQRGWMFDYNSGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.C12H14ClFN2O.C3H4N2/c16-13-2-4-14(5-3-13)18-8-10-19(11-9-18)15(21)12-20-7-1-6-17-20;13-9-12(17)16-7-5-15(6-8-16)11-3-1-10(14)2-4-11;1-2-4-5-3-1/h1-7H,8-12H2;1-4H,5-9H2;1-3H,(H,4,5).
What are the key properties of 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole?
2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole has a molecular weight of 613.11 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylethanone;1H-pyrazole is sourced from PubChem (CID 161372752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).