5-bromo-4-chloro-1H-pyrazole

C3H2BrClN2 — CID 13013117

IUPAC5-bromo-4-chloro-1H-pyrazole
SMILESClc1cn[nH]c1Br
InChIInChI=1S/C3H2BrClN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeySJUYPDARMRALRH-UHFFFAOYSA-N
MW181.42 g/mol
LogP1.83
Rot. Bonds

About 5-bromo-4-chloro-1H-pyrazole

5-bromo-4-chloro-1H-pyrazole (PubChem CID 13013117) has the molecular formula C3H2BrClN2 and a molecular weight of 181.42 g/mol. Its IUPAC name is 5-bromo-4-chloro-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1H-pyrazole
PubChem CID13013117
Molecular FormulaC3H2BrClN2
Molecular Weight181.42 g/mol
Exact Mass179.91
IUPAC Name5-bromo-4-chloro-1H-pyrazole
SMILESClc1cn[nH]c1Br
InChIInChI=1S/C3H2BrClN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeySJUYPDARMRALRH-UHFFFAOYSA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromopyrazole
CID 16375
1H-Pyrazole, 4-chloro-
CID 27524
3,4-Dibromo-1H-pyrazole
CID 22216
4-bromo-3-chloro-1H-pyrazole
CID 13013118
3-bromo-4-fluoro-1H-pyrazole
CID 90319101
3-Iodo-4-chloro-1H-pyrazole
CID 90884073
3-bromo-4-iodo-1H-pyrazole
CID 91663939
4-chloro-3-fluoro-1H-pyrazole
CID 105427197
4-Chloropyrazole hydrochloride
CID 22420987
5-bromo-4-(chloromethyl)-1H-pyrazole
CID 69017237
4-chloro-1H-pyrazol-2-ium
CID 173193392
4-Bromo-1-deuteriopyrazole
CID 175718656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1H-pyrazole?
The IUPAC name of 5-bromo-4-chloro-1H-pyrazole (CID 13013117) is 5-bromo-4-chloro-1H-pyrazole.
What is the SMILES notation for 5-bromo-4-chloro-1H-pyrazole?
The canonical SMILES for 5-bromo-4-chloro-1H-pyrazole is Clc1cn[nH]c1Br.
What is the InChIKey of 5-bromo-4-chloro-1H-pyrazole?
The InChIKey is SJUYPDARMRALRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrClN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7).
What are the key properties of 5-bromo-4-chloro-1H-pyrazole?
5-bromo-4-chloro-1H-pyrazole has a molecular weight of 181.42 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1H-pyrazole is sourced from PubChem (CID 13013117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).