2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C17H20ClFN4O — CID 35334948

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Cl
InChIInChI=1S/C17H20ClFN4O/c1-12-17(18)13(2)23(20-12)11-16(24)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6H,7-11H2,1-2H3
InChIKeyCLQOTMIWUWZIGI-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 35334948) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID35334948
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Cl
InChIInChI=1S/C17H20ClFN4O/c1-12-17(18)13(2)23(20-12)11-16(24)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6H,7-11H2,1-2H3
InChIKeyCLQOTMIWUWZIGI-UHFFFAOYSA-N
XLogP2.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 35334948) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is CLQOTMIWUWZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c1-12-17(18)13(2)23(20-12)11-16(24)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 350.83 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 35334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).