5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole

C15H18Cl2N2 — CID 66050349

IUPAC5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC(CCl)Cc2ccccc2Cl)n(C)n1
InChIInChI=1S/C15H18Cl2N2/c1-11-7-14(19(2)18-11)9-12(10-16)8-13-5-3-4-6-15(13)17/h3-7,12H,8-10H2,1-2H3
InChIKeyQYZPFABPXZYDCR-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.02
Rot. Bonds5

About 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole

5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole (PubChem CID 66050349) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
PubChem CID66050349
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC(CCl)Cc2ccccc2Cl)n(C)n1
InChIInChI=1S/C15H18Cl2N2/c1-11-7-14(19(2)18-11)9-12(10-16)8-13-5-3-4-6-15(13)17/h3-7,12H,8-10H2,1-2H3
InChIKeyQYZPFABPXZYDCR-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.02
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

5-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,3-dimethylpyrazole
CID 66051020
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66048380
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 66050345
5-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,3-dimethylpyrazole
CID 66036167
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
5-[3-bromo-2-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 79454162
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79418354
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324133
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
[1-(2-chlorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105209436
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole (CID 66050349) is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole is Cc1cc(CC(CCl)Cc2ccccc2Cl)n(C)n1.
What is the InChIKey of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole?
The InChIKey is QYZPFABPXZYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-11-7-14(19(2)18-11)9-12(10-16)8-13-5-3-4-6-15(13)17/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole?
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole has a molecular weight of 297.23 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 66050349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).