(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone

C16H20N2O3 — CID 105128341

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCCc1cc(C(=O)c2ccccc2OCCOC)n(C)n1
InChIInChI=1S/C16H20N2O3/c1-4-12-11-14(18(2)17-12)16(19)13-7-5-6-8-15(13)21-10-9-20-3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyIDZLBHNZODJZBG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.24
Rot. Bonds7

About (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone

(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 105128341) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID105128341
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCCc1cc(C(=O)c2ccccc2OCCOC)n(C)n1
InChIInChI=1S/C16H20N2O3/c1-4-12-11-14(18(2)17-12)16(19)13-7-5-6-8-15(13)21-10-9-20-3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyIDZLBHNZODJZBG-UHFFFAOYSA-N
XLogP2.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
CID 82698498
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133864
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 105128341) is (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone is CCc1cc(C(=O)c2ccccc2OCCOC)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is IDZLBHNZODJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-12-11-14(18(2)17-12)16(19)13-7-5-6-8-15(13)21-10-9-20-3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone?
(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 288.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 105128341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).