3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole

C11H10ClFN2 — CID 154672779

IUPAC3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2ccc(F)cc2)c(CCl)n1
InChIInChI=1S/C11H10ClFN2/c1-15-7-10(11(6-12)14-15)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyDJHCGNACVWYFMO-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.96
Rot. Bonds2

About 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole

3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole (PubChem CID 154672779) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
PubChem CID154672779
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2ccc(F)cc2)c(CCl)n1
InChIInChI=1S/C11H10ClFN2/c1-15-7-10(11(6-12)14-15)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyDJHCGNACVWYFMO-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.96
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-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 69207008
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
CID 11665598
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739
ethyl 5-(4-fluorophenyl)-1-methyl-4-oxopyridazine-3-carboxylate
CID 175918303
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
CID 73293375
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanone
CID 66009733
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
CID 66008493
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzoic acid
CID 66007874

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole (CID 154672779) is 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole is Cn1cc(-c2ccc(F)cc2)c(CCl)n1.
What is the InChIKey of 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole?
The InChIKey is DJHCGNACVWYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-15-7-10(11(6-12)14-15)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole?
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole has a molecular weight of 224.67 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 154672779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).