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

C12H10Cl2N2O — CID 114972423

IUPAC(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c1-2-16-11(3-4-15-16)12(17)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3
InChIKeyIDYDMLOSBJAFIE-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.44
Rot. Bonds3

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

(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 114972423) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID114972423
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c1-2-16-11(3-4-15-16)12(17)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3
InChIKeyIDYDMLOSBJAFIE-UHFFFAOYSA-N
XLogP3.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 116597326
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
(2-amino-4-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 64914209
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489
[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone
CID 116601777
(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
CID 107944480
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972403
2,3-dihydro-1H-inden-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972424
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114972399

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone (CID 114972423) is (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is IDYDMLOSBJAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-2-16-11(3-4-15-16)12(17)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3.
What are the key properties of (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone?
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 269.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).