(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone

C14H16N2O — CID 114972434

IUPAC(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H16N2O/c1-4-16-13(7-8-15-16)14(17)12-9-10(2)5-6-11(12)3/h5-9H,4H2,1-3H3
InChIKeyGEUAQYITAONQIP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.75
Rot. Bonds3

About (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone

(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 114972434) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID114972434
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H16N2O/c1-4-16-13(7-8-15-16)14(17)12-9-10(2)5-6-11(12)3/h5-9H,4H2,1-3H3
InChIKeyGEUAQYITAONQIP-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877629
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
CID 114972270
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
(2-amino-4-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 64914209
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114972399
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone (CID 114972434) is (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is GEUAQYITAONQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-16-13(7-8-15-16)14(17)12-9-10(2)5-6-11(12)3/h5-9H,4H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone?
(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).