5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole

C15H19ClN2 — CID 79418354

IUPAC5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC(CCl)c2ccccc2C)n(C)n1
InChIInChI=1S/C15H19ClN2/c1-11-6-4-5-7-15(11)13(10-16)9-14-8-12(2)17-18(14)3/h4-8,13H,9-10H2,1-3H3
InChIKeyDLWUMBMYPULPRV-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.60
Rot. Bonds4

About 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole

5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole (PubChem CID 79418354) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
PubChem CID79418354
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC(CCl)c2ccccc2C)n(C)n1
InChIInChI=1S/C15H19ClN2/c1-11-6-4-5-7-15(11)13(10-16)9-14-8-12(2)17-18(14)3/h4-8,13H,9-10H2,1-3H3
InChIKeyDLWUMBMYPULPRV-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole (CID 79418354) is 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole is Cc1cc(CC(CCl)c2ccccc2C)n(C)n1.
What is the InChIKey of 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole?
The InChIKey is DLWUMBMYPULPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-11-6-4-5-7-15(11)13(10-16)9-14-8-12(2)17-18(14)3/h4-8,13H,9-10H2,1-3H3.
What are the key properties of 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole?
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole has a molecular weight of 262.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 79418354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).