5-bromo-1,4-dimethylpyrazole

C5H7BrN2 — CID 19757100

IUPAC5-bromo-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1Br
InChIInChI=1S/C5H7BrN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3
InChIKeyUKCYRDDMLBDMPK-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.49
Rot. Bonds

About 5-bromo-1,4-dimethylpyrazole

5-bromo-1,4-dimethylpyrazole (PubChem CID 19757100) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 5-bromo-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-bromo-1,4-dimethylpyrazole
PubChem CID19757100
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name5-bromo-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1Br
InChIInChI=1S/C5H7BrN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3
InChIKeyUKCYRDDMLBDMPK-UHFFFAOYSA-N
XLogP1.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylpyrazole
CID 136836
1H-Pyrazole, 4-bromo-1-methyl-
CID 167433
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
4-Bromo-1-vinyl-1H-pyrazole
CID 13498184
3-Bromo-1-methyl-1H-pyrazole
CID 14948637
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-methyl-1H-pyrazole-4-carbonitrile
CID 12747521
5-Bromo-1-methyl-1H-pyrazole
CID 17933381
3-bromo-1,4-dimethyl-1H-pyrazole
CID 21766261
4-Bromo-1-propyl-1H-pyrazole
CID 21859707
5-bromo-1-ethyl-1H-pyrazole
CID 52644196

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,4-dimethylpyrazole?
The IUPAC name of 5-bromo-1,4-dimethylpyrazole (CID 19757100) is 5-bromo-1,4-dimethylpyrazole.
What is the SMILES notation for 5-bromo-1,4-dimethylpyrazole?
The canonical SMILES for 5-bromo-1,4-dimethylpyrazole is Cc1cnn(C)c1Br.
What is the InChIKey of 5-bromo-1,4-dimethylpyrazole?
The InChIKey is UKCYRDDMLBDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3.
What are the key properties of 5-bromo-1,4-dimethylpyrazole?
5-bromo-1,4-dimethylpyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,4-dimethylpyrazole is sourced from PubChem (CID 19757100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).