5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole

C14H17BrN2 — CID 122448784

IUPAC5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole
SMILESCc1cc(-c2ccc(Br)cc2)n(CC(C)C)n1
InChIInChI=1S/C14H17BrN2/c1-10(2)9-17-14(8-11(3)16-17)12-4-6-13(15)7-5-12/h4-8,10H,9H2,1-3H3
InChIKeySJGZBCINQYHNQU-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole

5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole (PubChem CID 122448784) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole
PubChem CID122448784
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole
SMILESCc1cc(-c2ccc(Br)cc2)n(CC(C)C)n1
InChIInChI=1S/C14H17BrN2/c1-10(2)9-17-14(8-11(3)16-17)12-4-6-13(15)7-5-12/h4-8,10H,9H2,1-3H3
InChIKeySJGZBCINQYHNQU-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole
CID 170037358
[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol
CID 83500614
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
[1-(2-methylpropyl)-5-phenylpyrazol-3-yl]methanol
CID 83500409
5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
CID 165138413
3-(4-bromophenyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 150150468
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
[5-(4-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 94944799
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
CID 67376588
(1S)-1-(4-bromophenyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 81358937
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole (CID 122448784) is 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole is Cc1cc(-c2ccc(Br)cc2)n(CC(C)C)n1.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole?
The InChIKey is SJGZBCINQYHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-10(2)9-17-14(8-11(3)16-17)12-4-6-13(15)7-5-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole?
5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole has a molecular weight of 293.21 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 122448784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).