(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone

C15H18N2O3 — CID 65195255

IUPAC(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2ccn(C)n2)cc1OCC
InChIInChI=1S/C15H18N2O3/c1-4-19-13-7-6-11(10-14(13)20-5-2)15(18)12-8-9-17(3)16-12/h6-10H,4-5H2,1-3H3
InChIKeyXNNZGNJZUFGYGW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds6

About (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone

(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 65195255) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID65195255
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2ccn(C)n2)cc1OCC
InChIInChI=1S/C15H18N2O3/c1-4-19-13-7-6-11(10-14(13)20-5-2)15(18)12-8-9-17(3)16-12/h6-10H,4-5H2,1-3H3
InChIKeyXNNZGNJZUFGYGW-UHFFFAOYSA-N
XLogP2.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone
CID 116543263
(3-amino-5-bromophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133436
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
ethyl 3,4-diethoxybenzoate
CID 586407
3-ethoxy-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 61492893
(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 65195644

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone (CID 65195255) is (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone is CCOc1ccc(C(=O)c2ccn(C)n2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XNNZGNJZUFGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-19-13-7-6-11(10-14(13)20-5-2)15(18)12-8-9-17(3)16-12/h6-10H,4-5H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 65195255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).