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

C4H4BrClN2 — CID 14849317

IUPAC4-bromo-3-chloro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1Br
InChIInChI=1S/C4H4BrClN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyCJPLPFWEQQWZAZ-UHFFFAOYSA-N
MW195.45 g/mol
LogP2.13
Rot. Bonds

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

4-bromo-3-chloro-5-methyl-1H-pyrazole (PubChem CID 14849317) has the molecular formula C4H4BrClN2 and a molecular weight of 195.45 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-chloro-5-methyl-1H-pyrazole
PubChem CID14849317
Molecular FormulaC4H4BrClN2
Molecular Weight195.45 g/mol
Exact Mass193.92
IUPAC Name4-bromo-3-chloro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1Br
InChIInChI=1S/C4H4BrClN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyCJPLPFWEQQWZAZ-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

Analyze 4-bromo-3-chloro-5-methyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dibromo-5-methyl-1H-pyrazole
CID 4575242
5-chloro-3,4-dimethyl-1H-pyrazole
CID 14849323
5-Chloro(bromo)-3-trifluoromethylpyrazole
CID 129862082
3,4-Dichloro-5-methyl-1H-pyrazole
CID 14849319
3-chloro-4-iodo-5-methyl-1H-pyrazole
CID 134890751
4-Bromo-3-fluoro-5-methyl-1H-pyrazole
CID 14849318
4-Chloro-3-fluoro-5-methyl-1H-pyrazole
CID 14849320
3-chloro-4-fluoro-5-methyl-1H-pyrazole
CID 157853948
Silver 4-bromo-5-chloro-3-methylpyrazol-1-ide
CID 134910250
3-Bromo-4-chloro-5-methyl-1h-pyrazole
CID 53418431
5-chloro-3-methyl-1H-pyrazol-4-amine
CID 55291507
4-Chloro-3-iodo-5-methyl-1h-pyrazole
CID 57840185

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-methyl-1H-pyrazole?
The IUPAC name of 4-bromo-3-chloro-5-methyl-1H-pyrazole (CID 14849317) is 4-bromo-3-chloro-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-chloro-5-methyl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-chloro-5-methyl-1H-pyrazole is Cc1[nH]nc(Cl)c1Br.
What is the InChIKey of 4-bromo-3-chloro-5-methyl-1H-pyrazole?
The InChIKey is CJPLPFWEQQWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8).
What are the key properties of 4-bromo-3-chloro-5-methyl-1H-pyrazole?
4-bromo-3-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 4-bromo-3-chloro-5-methyl-1H-pyrazole is sourced from PubChem (CID 14849317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).