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

C18H17FN4OS — CID 75527372

IUPAC(2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C18H17FN4OS/c19-14-5-2-1-4-13(14)18(24)23-9-7-22(8-10-23)17-12-15(20-21-17)16-6-3-11-25-16/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyUYMRXMHQFIYJTP-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.24
Rot. Bonds3

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

(2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527372) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527372
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name(2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C18H17FN4OS/c19-14-5-2-1-4-13(14)18(24)23-9-7-22(8-10-23)17-12-15(20-21-17)16-6-3-11-25-16/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyUYMRXMHQFIYJTP-UHFFFAOYSA-N
XLogP3.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527372) is (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is UYMRXMHQFIYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-14-5-2-1-4-13(14)18(24)23-9-7-22(8-10-23)17-12-15(20-21-17)16-6-3-11-25-16/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).