[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone

C20H20FN3OS — CID 71787160

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C20H20FN3OS/c1-23-19(12-18(22-23)15-2-4-17(21)5-3-15)20(25)24-9-6-14(7-10-24)16-8-11-26-13-16/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyFOXVZMRHTGFDDK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.31
Rot. Bonds3

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 71787160) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID71787160
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C20H20FN3OS/c1-23-19(12-18(22-23)15-2-4-17(21)5-3-15)20(25)24-9-6-14(7-10-24)16-8-11-26-13-16/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyFOXVZMRHTGFDDK-UHFFFAOYSA-N
XLogP4.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 71787160) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is FOXVZMRHTGFDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-23-19(12-18(22-23)15-2-4-17(21)5-3-15)20(25)24-9-6-14(7-10-24)16-8-11-26-13-16/h2-5,8,11-14H,6-7,9-10H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71787160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).