4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole

C11H10Cl2N2 — CID 62730927

IUPAC4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
SMILESClCc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C11H10Cl2N2/c12-5-9-6-14-15(7-9)8-10-3-1-2-4-11(10)13/h1-4,6-7H,5,8H2
InChIKeyLBCNCHNDFGLFLZ-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.32
Rot. Bonds3

About 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole

4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole (PubChem CID 62730927) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
PubChem CID62730927
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
SMILESClCc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C11H10Cl2N2/c12-5-9-6-14-15(7-9)8-10-3-1-2-4-11(10)13/h1-4,6-7H,5,8H2
InChIKeyLBCNCHNDFGLFLZ-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.32
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

4-(3-bromopropyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 63276589
N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]propanedioic acid
CID 68655091
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 63276635
1-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)pyrazole
CID 114859114
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine
CID 75451916
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 136573215
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 102859471

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole?
The IUPAC name of 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole (CID 62730927) is 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole is ClCc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole?
The InChIKey is LBCNCHNDFGLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c12-5-9-6-14-15(7-9)8-10-3-1-2-4-11(10)13/h1-4,6-7H,5,8H2.
What are the key properties of 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole?
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole is sourced from PubChem (CID 62730927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).