2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C17H18ClFN4O2 — CID 24810867

IUPAC2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3
InChIKeyQUDDUNFBOHGRTM-UHFFFAOYSA-N
MW364.81 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 24810867) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID24810867
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3
InChIKeyQUDDUNFBOHGRTM-UHFFFAOYSA-N
XLogP1.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 24810867) is 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is Cn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is QUDDUNFBOHGRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 364.81 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24810867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).