[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

C18H22FN3O — CID 110336589

IUPAC[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(F)c(-c2cc(C(=O)N3CCC(C)CC3)nn2C)c1
InChIInChI=1S/C18H22FN3O/c1-12-6-8-22(9-7-12)18(23)16-11-17(21(3)20-16)14-10-13(2)4-5-15(14)19/h4-5,10-12H,6-9H2,1-3H3
InChIKeyLOFHHCURTGCHKO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.41
Rot. Bonds2

About [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110336589) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110336589
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(F)c(-c2cc(C(=O)N3CCC(C)CC3)nn2C)c1
InChIInChI=1S/C18H22FN3O/c1-12-6-8-22(9-7-12)18(23)16-11-17(21(3)20-16)14-10-13(2)4-5-15(14)19/h4-5,10-12H,6-9H2,1-3H3
InChIKeyLOFHHCURTGCHKO-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 110336589) is [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(F)c(-c2cc(C(=O)N3CCC(C)CC3)nn2C)c1.
What is the InChIKey of [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LOFHHCURTGCHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-6-8-22(9-7-12)18(23)16-11-17(21(3)20-16)14-10-13(2)4-5-15(14)19/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 315.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110336589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).