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

C3H2BrClN2 — CID 13013118

IUPAC4-bromo-5-chloro-1H-pyrazole
SMILESClc1[nH]ncc1Br
InChIInChI=1S/C3H2BrClN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyLASSLNHDRZFHLG-UHFFFAOYSA-N
MW181.42 g/mol
LogP1.83
Rot. Bonds

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

4-bromo-5-chloro-1H-pyrazole (PubChem CID 13013118) has the molecular formula C3H2BrClN2 and a molecular weight of 181.42 g/mol. Its IUPAC name is 4-bromo-5-chloro-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-chloro-1H-pyrazole
PubChem CID13013118
Molecular FormulaC3H2BrClN2
Molecular Weight181.42 g/mol
Exact Mass179.91
IUPAC Name4-bromo-5-chloro-1H-pyrazole
SMILESClc1[nH]ncc1Br
InChIInChI=1S/C3H2BrClN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyLASSLNHDRZFHLG-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1H-pyrazole?
The IUPAC name of 4-bromo-5-chloro-1H-pyrazole (CID 13013118) is 4-bromo-5-chloro-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-chloro-1H-pyrazole?
The canonical SMILES for 4-bromo-5-chloro-1H-pyrazole is Clc1[nH]ncc1Br.
What is the InChIKey of 4-bromo-5-chloro-1H-pyrazole?
The InChIKey is LASSLNHDRZFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrClN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4-bromo-5-chloro-1H-pyrazole?
4-bromo-5-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 4-bromo-5-chloro-1H-pyrazole is sourced from PubChem (CID 13013118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).