(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone

C19H25N3O — CID 154861911

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC(c2ccccc2)CC1C
InChIInChI=1S/C19H25N3O/c1-4-22-18(12-14(2)20-22)19(23)21-11-10-17(13-15(21)3)16-8-6-5-7-9-16/h5-9,12,15,17H,4,10-11,13H2,1-3H3
InChIKeyOQEZEJGJLJDVRA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.62
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone

(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 154861911) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
PubChem CID154861911
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC(c2ccccc2)CC1C
InChIInChI=1S/C19H25N3O/c1-4-22-18(12-14(2)20-22)19(23)21-11-10-17(13-15(21)3)16-8-6-5-7-9-16/h5-9,12,15,17H,4,10-11,13H2,1-3H3
InChIKeyOQEZEJGJLJDVRA-UHFFFAOYSA-N
XLogP3.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone (CID 154861911) is (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone is CCn1nc(C)cc1C(=O)N1CCC(c2ccccc2)CC1C.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is OQEZEJGJLJDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22-18(12-14(2)20-22)19(23)21-11-10-17(13-15(21)3)16-8-6-5-7-9-16/h5-9,12,15,17H,4,10-11,13H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone?
(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 154861911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).