1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone

C24H28FN3O — CID 46031198

IUPAC1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCCCC3C)C(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C24H28FN3O/c1-17-9-11-19(12-10-17)22-15-23(20-7-5-8-21(25)14-20)28(26-22)24(29)16-27-13-4-3-6-18(27)2/h5,7-12,14,18,23H,3-4,6,13,15-16H2,1-2H3
InChIKeyJAAWZMSWAFQEBL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.69
Rot. Bonds4

About 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone

1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 46031198) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID46031198
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCCCC3C)C(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C24H28FN3O/c1-17-9-11-19(12-10-17)22-15-23(20-7-5-8-21(25)14-20)28(26-22)24(29)16-27-13-4-3-6-18(27)2/h5,7-12,14,18,23H,3-4,6,13,15-16H2,1-2H3
InChIKeyJAAWZMSWAFQEBL-UHFFFAOYSA-N
XLogP4.69
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone (CID 46031198) is 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone is Cc1ccc(C2=NN(C(=O)CN3CCCCC3C)C(c3cccc(F)c3)C2)cc1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is JAAWZMSWAFQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-17-9-11-19(12-10-17)22-15-23(20-7-5-8-21(25)14-20)28(26-22)24(29)16-27-13-4-3-6-18(27)2/h5,7-12,14,18,23H,3-4,6,13,15-16H2,1-2H3.
What are the key properties of 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone?
1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 393.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46031198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).