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

C4H5BrN2 — CID 1201423

IUPAC3-bromo-5-methyl-1H-pyrazole
SMILESCc1cc(Br)n[nH]1
InChIInChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7)
InChIKeySVRPUGWCOWUQOY-UHFFFAOYSA-N
MW161.00 g/mol
LogP1.48
Rot. Bonds

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

3-bromo-5-methyl-1H-pyrazole (PubChem CID 1201423) has the molecular formula C4H5BrN2 and a molecular weight of 161.00 g/mol. Its IUPAC name is 3-bromo-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-bromo-5-methyl-1H-pyrazole
PubChem CID1201423
Molecular FormulaC4H5BrN2
Molecular Weight161.00 g/mol
Exact Mass159.96
IUPAC Name3-bromo-5-methyl-1H-pyrazole
SMILESCc1cc(Br)n[nH]1
InChIInChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7)
InChIKeySVRPUGWCOWUQOY-UHFFFAOYSA-N
XLogP1.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-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
3-Bromo-5-(trifluoromethyl)-1H-pyrazole
CID 68746581
3-iodo-5-methyl-1H-pyrazole
CID 14573935
5-bromo-3-(propan-2-yl)-1H-pyrazole
CID 84661818
5-bromo-1H-pyrazole-3-carbonitrile
CID 91372286
5-bromo-3-(chloromethyl)-1H-pyrazole
CID 168254690
3-fluoro-5-methyl-1H-pyrazole
CID 68374671
3-Bromo-5-(difluoromethyl)-1H-pyrazole
CID 161115975
3-bromo-4-fluoro-5-methyl-1H-pyrazole
CID 173589095
3-bromo-4,5-dimethyl-1H-pyrazole
CID 14849322
3-(bromomethyl)-5-methyl-1H-pyrazole
CID 20557696
3-bromo-5-but-3-enyl-1H-pyrazole
CID 57323717

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1H-pyrazole?
The IUPAC name of 3-bromo-5-methyl-1H-pyrazole (CID 1201423) is 3-bromo-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-bromo-5-methyl-1H-pyrazole?
The canonical SMILES for 3-bromo-5-methyl-1H-pyrazole is Cc1cc(Br)n[nH]1.
What is the InChIKey of 3-bromo-5-methyl-1H-pyrazole?
The InChIKey is SVRPUGWCOWUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7).
What are the key properties of 3-bromo-5-methyl-1H-pyrazole?
3-bromo-5-methyl-1H-pyrazole has a molecular weight of 161.00 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1H-pyrazole is sourced from PubChem (CID 1201423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).