1-benzyl-5-bromopyrazole

C10H9BrN2 — CID 15740729

IUPAC1-benzyl-5-bromopyrazole
SMILESBrc1ccnn1Cc1ccccc1
InChIInChI=1S/C10H9BrN2/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVTWQCBYADOOLSB-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.69
Rot. Bonds2

About 1-benzyl-5-bromopyrazole

1-benzyl-5-bromopyrazole (PubChem CID 15740729) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-benzyl-5-bromopyrazole.

Molecular Properties

Compound Name1-benzyl-5-bromopyrazole
PubChem CID15740729
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name1-benzyl-5-bromopyrazole
SMILESBrc1ccnn1Cc1ccccc1
InChIInChI=1S/C10H9BrN2/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVTWQCBYADOOLSB-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1508616
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CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
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4-(1H-pyrazol-1-ylmethyl)benzonitrile
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1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
1-p-Tolyl-1H-pyrazole
CID 809797
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
5-bromo-1-phenyl-1H-pyrazole
CID 2755878
1-Benzyl-4-iodo-1H-pyrazole
CID 3794579
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromopyrazole?
The IUPAC name of 1-benzyl-5-bromopyrazole (CID 15740729) is 1-benzyl-5-bromopyrazole.
What is the SMILES notation for 1-benzyl-5-bromopyrazole?
The canonical SMILES for 1-benzyl-5-bromopyrazole is Brc1ccnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-bromopyrazole?
The InChIKey is VTWQCBYADOOLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-benzyl-5-bromopyrazole?
1-benzyl-5-bromopyrazole has a molecular weight of 237.10 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromopyrazole is sourced from PubChem (CID 15740729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).