3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole

C19H16Br2N2O — CID 150953075

IUPAC3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole
SMILESBrCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2Br)n1
InChIInChI=1S/C19H16Br2N2O/c20-12-14-11-19(23(22-14)18-7-2-1-6-17(18)21)13-4-3-5-16(10-13)24-15-8-9-15/h1-7,10-11,15H,8-9,12H2
InChIKeyLKMWYVFQXJXSAB-UHFFFAOYSA-N
MW448.16 g/mol
LogP5.74
Rot. Bonds5

About 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole

3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole (PubChem CID 150953075) has the molecular formula C19H16Br2N2O and a molecular weight of 448.16 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole
PubChem CID150953075
Molecular FormulaC19H16Br2N2O
Molecular Weight448.16 g/mol
Exact Mass445.96
IUPAC Name3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole
SMILESBrCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2Br)n1
InChIInChI=1S/C19H16Br2N2O/c20-12-14-11-19(23(22-14)18-7-2-1-6-17(18)21)13-4-3-5-16(10-13)24-15-8-9-15/h1-7,10-11,15H,8-9,12H2
InChIKeyLKMWYVFQXJXSAB-UHFFFAOYSA-N
XLogP5.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.16
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-bromophenyl)-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 138552988
[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol
CID 170793091
2-[[5-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587177
(2R)-2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
CID 134603038
2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587161
methyl (2R)-2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoate
CID 171771700
2-[[5-(3-cyclopropyloxyphenyl)-1-(1H-indazol-7-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587043
methyl 5-(3-cyclopropyloxyphenyl)-1-(2-nitrophenyl)pyrazole-3-carboxylate
CID 154024646
2-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
CID 134587093
3-[[1-[2-(azetidin-1-yl)-4-fluorophenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-(2-chlorophenyl)-5-(3,5-diethoxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one
CID 159796819
2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol
CID 142378763
methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate
CID 154024643

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole?
The IUPAC name of 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole (CID 150953075) is 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole.
What is the SMILES notation for 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole?
The canonical SMILES for 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole is BrCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2Br)n1.
What is the InChIKey of 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole?
The InChIKey is LKMWYVFQXJXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O/c20-12-14-11-19(23(22-14)18-7-2-1-6-17(18)21)13-4-3-5-16(10-13)24-15-8-9-15/h1-7,10-11,15H,8-9,12H2.
What are the key properties of 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole?
3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole has a molecular weight of 448.16 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole is sourced from PubChem (CID 150953075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).