2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C18H21FN4O2 — CID 24812461

IUPAC2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C
InChIInChI=1S/C18H21FN4O2/c1-13-11-16(20-21(13)2)18(25)23-9-7-22(8-10-23)12-17(24)14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVYLNMUMHHZDSFF-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.51
Rot. Bonds4

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

2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 24812461) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID24812461
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C
InChIInChI=1S/C18H21FN4O2/c1-13-11-16(20-21(13)2)18(25)23-9-7-22(8-10-23)12-17(24)14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVYLNMUMHHZDSFF-UHFFFAOYSA-N
XLogP1.51
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 24812461) is 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C.
What is the InChIKey of 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is VYLNMUMHHZDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-11-16(20-21(13)2)18(25)23-9-7-22(8-10-23)12-17(24)14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 344.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24812461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).