(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone

C16H20N2O3 — CID 114972489

IUPAC(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2ccnn2CC)cc1OCC
InChIInChI=1S/C16H20N2O3/c1-4-18-13(9-10-17-18)16(19)12-7-8-14(20-5-2)15(11-12)21-6-3/h7-11H,4-6H2,1-3H3
InChIKeyDTCIWQZGIABIGD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds7

About (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone

(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 114972489) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID114972489
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2ccnn2CC)cc1OCC
InChIInChI=1S/C16H20N2O3/c1-4-18-13(9-10-17-18)16(19)12-7-8-14(20-5-2)15(11-12)21-6-3/h7-11H,4-6H2,1-3H3
InChIKeyDTCIWQZGIABIGD-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(3,4-diethoxyphenyl)methanone
CID 135325793
2,3-dihydro-1H-inden-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972424
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972403
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
(3-amino-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 116597326
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195255
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
CID 116746800
(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone (CID 114972489) is (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone is CCOc1ccc(C(=O)c2ccnn2CC)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is DTCIWQZGIABIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-18-13(9-10-17-18)16(19)12-7-8-14(20-5-2)15(11-12)21-6-3/h7-11H,4-6H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone?
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).