3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole

C14H15BrCl2N2 — CID 118512878

IUPAC3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cc(CBr)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H15BrCl2N2/c1-9(2)6-11-7-10(8-15)18-19(11)14-12(16)4-3-5-13(14)17/h3-5,7,9H,6,8H2,1-2H3
InChIKeySJEWTPCJLJDNAM-UHFFFAOYSA-N
MW362.10 g/mol
LogP5.27
Rot. Bonds4

About 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole

3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole (PubChem CID 118512878) has the molecular formula C14H15BrCl2N2 and a molecular weight of 362.10 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole
PubChem CID118512878
Molecular FormulaC14H15BrCl2N2
Molecular Weight362.10 g/mol
Exact Mass359.98
IUPAC Name3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cc(CBr)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H15BrCl2N2/c1-9(2)6-11-7-10(8-15)18-19(11)14-12(16)4-3-5-13(14)17/h3-5,7,9H,6,8H2,1-2H3
InChIKeySJEWTPCJLJDNAM-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.10
LogP ≤ 55.27
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

3-(bromomethyl)-1-phenyl-5-propan-2-ylpyrazole
CID 22832010
N-[[3-(2,6-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451689
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 82699665
3-(bromomethyl)-5-(2-chloro-6-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115400069
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide
CID 118512852
3-(bromomethyl)-5-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115400118
1-[2-(bromomethyl)-6-chlorophenyl]-4-propan-2-ylpiperazine
CID 114067681
1-(2,6-dichlorophenyl)-5-methoxy-4-propan-2-yltriazole
CID 174675272
4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
CID 158757005
5,6-dibromo-2-(2,6-dichlorophenyl)pyridazin-3-one
CID 10309673
3-(bromomethyl)-5-(2-chloro-6-nitrophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115400137
3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole?
The IUPAC name of 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole (CID 118512878) is 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole is CC(C)Cc1cc(CBr)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole?
The InChIKey is SJEWTPCJLJDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2/c1-9(2)6-11-7-10(8-15)18-19(11)14-12(16)4-3-5-13(14)17/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole?
3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole has a molecular weight of 362.10 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2,6-dichlorophenyl)-5-(2-methylpropyl)pyrazole is sourced from PubChem (CID 118512878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).