[4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone

C19H19FN4OS — CID 4995010

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19FN4OS/c1-22-17(13-15(21-22)18-7-4-12-26-18)19(25)24-10-8-23(9-11-24)16-6-3-2-5-14(16)20/h2-7,12-13H,8-11H2,1H3
InChIKeyGADPJMFVEQZRFP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.25
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (PubChem CID 4995010) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
PubChem CID4995010
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19FN4OS/c1-22-17(13-15(21-22)18-7-4-12-26-18)19(25)24-10-8-23(9-11-24)16-6-3-2-5-14(16)20/h2-7,12-13H,8-11H2,1H3
InChIKeyGADPJMFVEQZRFP-UHFFFAOYSA-N
XLogP3.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (CID 4995010) is [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is Cn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The InChIKey is GADPJMFVEQZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-22-17(13-15(21-22)18-7-4-12-26-18)19(25)24-10-8-23(9-11-24)16-6-3-2-5-14(16)20/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 4995010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).