[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

C24H21FN4OS — CID 2571788

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H21FN4OS/c25-18-8-10-19(11-9-18)27-12-14-28(15-13-27)24(30)21-17-29(20-5-2-1-3-6-20)26-23(21)22-7-4-16-31-22/h1-11,16-17H,12-15H2
InChIKeyJQYPMAWMBDCPEJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.70
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (PubChem CID 2571788) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
PubChem CID2571788
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H21FN4OS/c25-18-8-10-19(11-9-18)27-12-14-28(15-13-27)24(30)21-17-29(20-5-2-1-3-6-20)26-23(21)22-7-4-16-31-22/h1-11,16-17H,12-15H2
InChIKeyJQYPMAWMBDCPEJ-UHFFFAOYSA-N
XLogP4.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (CID 2571788) is [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The InChIKey is JQYPMAWMBDCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-18-8-10-19(11-9-18)27-12-14-28(15-13-27)24(30)21-17-29(20-5-2-1-3-6-20)26-23(21)22-7-4-16-31-22/h1-11,16-17H,12-15H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone has a molecular weight of 432.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 2571788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).