(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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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 136558435
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
6-ethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
CID 156583858
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 26320858
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323437
(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46957568
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153

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).