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

C4H4BrClN2 — CID 53418431

IUPAC3-bromo-4-chloro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Br)c1Cl
InChIInChI=1S/C4H4BrClN2/c1-2-3(6)4(5)8-7-2/h1H3,(H,7,8)
InChIKeyXCZHAULVLLYOQJ-UHFFFAOYSA-N
MW195.45 g/mol
LogP2.13
Rot. Bonds

About 3-bromo-4-chloro-5-methyl-1H-pyrazole

3-bromo-4-chloro-5-methyl-1H-pyrazole (PubChem CID 53418431) has the molecular formula C4H4BrClN2 and a molecular weight of 195.45 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-bromo-4-chloro-5-methyl-1H-pyrazole
PubChem CID53418431
Molecular FormulaC4H4BrClN2
Molecular Weight195.45 g/mol
Exact Mass193.92
IUPAC Name3-bromo-4-chloro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Br)c1Cl
InChIInChI=1S/C4H4BrClN2/c1-2-3(6)4(5)8-7-2/h1H3,(H,7,8)
InChIKeyXCZHAULVLLYOQJ-UHFFFAOYSA-N
XLogP2.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-methyl-1H-pyrazole?
The IUPAC name of 3-bromo-4-chloro-5-methyl-1H-pyrazole (CID 53418431) is 3-bromo-4-chloro-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-bromo-4-chloro-5-methyl-1H-pyrazole?
The canonical SMILES for 3-bromo-4-chloro-5-methyl-1H-pyrazole is Cc1[nH]nc(Br)c1Cl.
What is the InChIKey of 3-bromo-4-chloro-5-methyl-1H-pyrazole?
The InChIKey is XCZHAULVLLYOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClN2/c1-2-3(6)4(5)8-7-2/h1H3,(H,7,8).
What are the key properties of 3-bromo-4-chloro-5-methyl-1H-pyrazole?
3-bromo-4-chloro-5-methyl-1H-pyrazole has a molecular weight of 195.45 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5-methyl-1H-pyrazole is sourced from PubChem (CID 53418431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).