[4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C15H17FN4O — CID 20906479

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C15H17FN4O/c1-11-10-13(18-17-11)15(21)20-8-6-19(7-9-20)14-5-3-2-4-12(14)16/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyXISLMGXMTFMJLX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.82
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 20906479) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID20906479
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C15H17FN4O/c1-11-10-13(18-17-11)15(21)20-8-6-19(7-9-20)14-5-3-2-4-12(14)16/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyXISLMGXMTFMJLX-UHFFFAOYSA-N
XLogP1.82
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 20906479) is [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)n[nH]1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is XISLMGXMTFMJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-10-13(18-17-11)15(21)20-8-6-19(7-9-20)14-5-3-2-4-12(14)16/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 288.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 20906479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).