[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H17FN4O — CID 1220811

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN4O/c1-18-14(6-7-17-18)15(21)20-10-8-19(9-11-20)13-4-2-12(16)3-5-13/h2-7H,8-11H2,1H3
InChIKeyYZZCPCGURLBDPK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.52
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 1220811) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID1220811
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN4O/c1-18-14(6-7-17-18)15(21)20-10-8-19(9-11-20)13-4-2-12(16)3-5-13/h2-7H,8-11H2,1H3
InChIKeyYZZCPCGURLBDPK-UHFFFAOYSA-N
XLogP1.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 1220811) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is YZZCPCGURLBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-18-14(6-7-17-18)15(21)20-10-8-19(9-11-20)13-4-2-12(16)3-5-13/h2-7H,8-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 288.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 1220811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).