(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

C20H27N3O2 — CID 70734009

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-4-23-18(14-17(21-23)15(2)3)19(24)22-12-10-20(25,11-13-22)16-8-6-5-7-9-16/h5-9,14-15,25H,4,10-13H2,1-3H3
InChIKeyUDYBBDFQYAIHRT-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.15
Rot. Bonds4

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (PubChem CID 70734009) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
PubChem CID70734009
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-4-23-18(14-17(21-23)15(2)3)19(24)22-12-10-20(25,11-13-22)16-8-6-5-7-9-16/h5-9,14-15,25H,4,10-13H2,1-3H3
InChIKeyUDYBBDFQYAIHRT-UHFFFAOYSA-N
XLogP3.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (CID 70734009) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The InChIKey is UDYBBDFQYAIHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-23-18(14-17(21-23)15(2)3)19(24)22-12-10-20(25,11-13-22)16-8-6-5-7-9-16/h5-9,14-15,25H,4,10-13H2,1-3H3.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 70734009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).