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

C10H15ClN2O — CID 66044438

IUPAC5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
SMILESCc1cc(CC(=O)CCCCl)n(C)n1
InChIInChI=1S/C10H15ClN2O/c1-8-6-9(13(2)12-8)7-10(14)4-3-5-11/h6H,3-5,7H2,1-2H3
InChIKeyJNHNPLKNLREHSG-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.86
Rot. Bonds5

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

5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one (PubChem CID 66044438) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
PubChem CID66044438
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
SMILESCc1cc(CC(=O)CCCCl)n(C)n1
InChIInChI=1S/C10H15ClN2O/c1-8-6-9(13(2)12-8)7-10(14)4-3-5-11/h6H,3-5,7H2,1-2H3
InChIKeyJNHNPLKNLREHSG-UHFFFAOYSA-N
XLogP1.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.86
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-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
1-(2,5-dimethylpyrazol-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105108407
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 116659644

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one (CID 66044438) is 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one is Cc1cc(CC(=O)CCCCl)n(C)n1.
What is the InChIKey of 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one?
The InChIKey is JNHNPLKNLREHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8-6-9(13(2)12-8)7-10(14)4-3-5-11/h6H,3-5,7H2,1-2H3.
What are the key properties of 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one?
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one has a molecular weight of 214.70 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 66044438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).