[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone

C22H31N3O2 — CID 162636784

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(OC)(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-5-25-20(16-19(23-25)15-17(2)3)21(26)24-13-11-22(27-4,12-14-24)18-9-7-6-8-10-18/h6-10,16-17H,5,11-15H2,1-4H3
InChIKeyLGLXPCDXCVOSRM-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.88
Rot. Bonds6

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone (PubChem CID 162636784) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
PubChem CID162636784
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(OC)(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-5-25-20(16-19(23-25)15-17(2)3)21(26)24-13-11-22(27-4,12-14-24)18-9-7-6-8-10-18/h6-10,16-17H,5,11-15H2,1-4H3
InChIKeyLGLXPCDXCVOSRM-UHFFFAOYSA-N
XLogP3.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone (CID 162636784) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCC(OC)(c2ccccc2)CC1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone?
The InChIKey is LGLXPCDXCVOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-5-25-20(16-19(23-25)15-17(2)3)21(26)24-13-11-22(27-4,12-14-24)18-9-7-6-8-10-18/h6-10,16-17H,5,11-15H2,1-4H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone has a molecular weight of 369.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 162636784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).