[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C25H27N3O3 — CID 24792129

IUPAC[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C25H27N3O3/c1-3-28-23(16-18(2)26-28)25(30)27-15-7-8-20(17-27)24(29)19-11-13-22(14-12-19)31-21-9-5-4-6-10-21/h4-6,9-14,16,20H,3,7-8,15,17H2,1-2H3
InChIKeyUYBUWSGVHONVIA-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.74
Rot. Bonds6

About [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 24792129) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID24792129
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C25H27N3O3/c1-3-28-23(16-18(2)26-28)25(30)27-15-7-8-20(17-27)24(29)19-11-13-22(14-12-19)31-21-9-5-4-6-10-21/h4-6,9-14,16,20H,3,7-8,15,17H2,1-2H3
InChIKeyUYBUWSGVHONVIA-UHFFFAOYSA-N
XLogP4.74
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 24792129) is [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is CCn1nc(C)cc1C(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is UYBUWSGVHONVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-28-23(16-18(2)26-28)25(30)27-15-7-8-20(17-27)24(29)19-11-13-22(14-12-19)31-21-9-5-4-6-10-21/h4-6,9-14,16,20H,3,7-8,15,17H2,1-2H3.
What are the key properties of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 417.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 24792129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).