(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C18H21N3O — CID 154866368

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CC=C(c3ccccc3)CC2)n(C)n1
InChIInChI=1S/C18H21N3O/c1-3-16-13-17(20(2)19-16)18(22)21-11-9-15(10-12-21)14-7-5-4-6-8-14/h4-9,13H,3,10-12H2,1-2H3
InChIKeyBXZTYJIGSWGDHW-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.91
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 154866368) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID154866368
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CC=C(c3ccccc3)CC2)n(C)n1
InChIInChI=1S/C18H21N3O/c1-3-16-13-17(20(2)19-16)18(22)21-11-9-15(10-12-21)14-7-5-4-6-8-14/h4-9,13H,3,10-12H2,1-2H3
InChIKeyBXZTYJIGSWGDHW-UHFFFAOYSA-N
XLogP2.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 154866368) is (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCc1cc(C(=O)N2CC=C(c3ccccc3)CC2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is BXZTYJIGSWGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-16-13-17(20(2)19-16)18(22)21-11-9-15(10-12-21)14-7-5-4-6-8-14/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 154866368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).