4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole

C11H19ClN2O2S — CID 106730682

IUPAC4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
SMILESCCC(Cl)c1cnn(CCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H19ClN2O2S/c1-4-11(12)10-7-13-14(8-10)5-6-17(15,16)9(2)3/h7-9,11H,4-6H2,1-3H3
InChIKeyWKKYZDTYVYCSOF-UHFFFAOYSA-N
MW278.81 g/mol
LogP2.40
Rot. Bonds6

About 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole

4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole (PubChem CID 106730682) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
PubChem CID106730682
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.81 g/mol
Exact Mass278.09
IUPAC Name4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
SMILESCCC(Cl)c1cnn(CCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H19ClN2O2S/c1-4-11(12)10-7-13-14(8-10)5-6-17(15,16)9(2)3/h7-9,11H,4-6H2,1-3H3
InChIKeyWKKYZDTYVYCSOF-UHFFFAOYSA-N
XLogP2.40
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonyl chloride
CID 106728488
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488
ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
CID 176666040
1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729712
4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62729663
1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 55109177
N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
3-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106735199
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 106730571

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole?
The IUPAC name of 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole (CID 106730682) is 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole.
What is the SMILES notation for 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole?
The canonical SMILES for 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole is CCC(Cl)c1cnn(CCS(=O)(=O)C(C)C)c1.
What is the InChIKey of 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole?
The InChIKey is WKKYZDTYVYCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2S/c1-4-11(12)10-7-13-14(8-10)5-6-17(15,16)9(2)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole?
4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole has a molecular weight of 278.81 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole is sourced from PubChem (CID 106730682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).