5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one

C10H14Cl2N2O — CID 66045871

IUPAC5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
SMILESCc1nn(C)c(CC(=O)CCCCl)c1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-7-10(12)9(14(2)13-7)6-8(15)4-3-5-11/h3-6H2,1-2H3
InChIKeyRWRQBLKTMLRTND-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.51
Rot. Bonds5

About 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one

5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one (PubChem CID 66045871) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
PubChem CID66045871
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
SMILESCc1nn(C)c(CC(=O)CCCCl)c1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-7-10(12)9(14(2)13-7)6-8(15)4-3-5-11/h3-6H2,1-2H3
InChIKeyRWRQBLKTMLRTND-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
CID 115345653
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
CID 116581212
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-5,5-dimethylhexan-2-one
CID 116608588
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114979149
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114979203
1-(4-bromo-1,3-dimethylpyrazol-5-yl)hexan-2-one
CID 79404360
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
CID 105108649
1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 114979201

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one?
The IUPAC name of 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one (CID 66045871) is 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one?
The canonical SMILES for 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one is Cc1nn(C)c(CC(=O)CCCCl)c1Cl.
What is the InChIKey of 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one?
The InChIKey is RWRQBLKTMLRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-7-10(12)9(14(2)13-7)6-8(15)4-3-5-11/h3-6H2,1-2H3.
What are the key properties of 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one?
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one has a molecular weight of 249.14 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one is sourced from PubChem (CID 66045871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).