4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole

C11H18ClFN2 — CID 81114283

IUPAC4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole
SMILESCCC(Cl)c1c(C)nn(CCCF)c1C
InChIInChI=1S/C11H18ClFN2/c1-4-10(12)11-8(2)14-15(9(11)3)7-5-6-13/h10H,4-7H2,1-3H3
InChIKeyXYOSTYKPVLODLB-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.55
Rot. Bonds5

About 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole

4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole (PubChem CID 81114283) has the molecular formula C11H18ClFN2 and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole
PubChem CID81114283
Molecular FormulaC11H18ClFN2
Molecular Weight232.73 g/mol
Exact Mass232.11
IUPAC Name4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole
SMILESCCC(Cl)c1c(C)nn(CCCF)c1C
InChIInChI=1S/C11H18ClFN2/c1-4-10(12)11-8(2)14-15(9(11)3)7-5-6-13/h10H,4-7H2,1-3H3
InChIKeyXYOSTYKPVLODLB-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
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1,3,5-Trimethyl-4-propylpyrazole
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4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
CID 140239
4-(1,2-Dichloroethyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 22380993
5-Fluoro-1,3-dimethyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647571
4-Tert-butyl-3-ethyl-5-fluoro-1-methylpyrazole
CID 57709287
4-Tert-butyl-5-fluoro-1-methyl-3-propan-2-ylpyrazole
CID 57709313
3,4-Ditert-butyl-5-fluoro-1-methylpyrazole
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CID 57709427

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole (CID 81114283) is 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole is CCC(Cl)c1c(C)nn(CCCF)c1C.
What is the InChIKey of 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole?
The InChIKey is XYOSTYKPVLODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClFN2/c1-4-10(12)11-8(2)14-15(9(11)3)7-5-6-13/h10H,4-7H2,1-3H3.
What are the key properties of 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole?
4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole has a molecular weight of 232.73 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-1-(3-fluoropropyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 81114283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).