5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

C15H15BrN4 — CID 118864387

IUPAC5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(Cn2cc(-c3cccc(Br)c3)cn2)n(C)n1
InChIInChI=1S/C15H15BrN4/c1-11-6-15(19(2)18-11)10-20-9-13(8-17-20)12-4-3-5-14(16)7-12/h3-9H,10H2,1-2H3
InChIKeyANQAUDCJANAJOF-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.40
Rot. Bonds3

About 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 118864387) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
PubChem CID118864387
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(Cn2cc(-c3cccc(Br)c3)cn2)n(C)n1
InChIInChI=1S/C15H15BrN4/c1-11-6-15(19(2)18-11)10-20-9-13(8-17-20)12-4-3-5-14(16)7-12/h3-9H,10H2,1-2H3
InChIKeyANQAUDCJANAJOF-UHFFFAOYSA-N
XLogP3.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
US10155727, Example 34
CID 118864199
US10155727, Example 55
CID 118864216
US10155727, Example 54
CID 118864218
US10155727, Example 38
CID 118864252
US10155727, Example 32
CID 118864263
US10155727, Example 31
CID 118864335
US10155727, Example 52
CID 118864389
1-(4-bromo-2-methylphenyl)-1H-pyrazole
CID 75422432
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 16189999

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (CID 118864387) is 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is Cc1cc(Cn2cc(-c3cccc(Br)c3)cn2)n(C)n1.
What is the InChIKey of 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The InChIKey is ANQAUDCJANAJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-11-6-15(19(2)18-11)10-20-9-13(8-17-20)12-4-3-5-14(16)7-12/h3-9H,10H2,1-2H3.
What are the key properties of 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 331.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-bromophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 118864387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).