5-bromo-1-methyl-4-propan-2-ylpyrazole

C7H11BrN2 — CID 84671203

IUPAC5-bromo-1-methyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C)c1Br
InChIInChI=1S/C7H11BrN2/c1-5(2)6-4-9-10(3)7(6)8/h4-5H,1-3H3
InChIKeyHNSXCPUNRGYLIV-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-1-methyl-4-propan-2-ylpyrazole

5-bromo-1-methyl-4-propan-2-ylpyrazole (PubChem CID 84671203) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 5-bromo-1-methyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-bromo-1-methyl-4-propan-2-ylpyrazole
PubChem CID84671203
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name5-bromo-1-methyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C)c1Br
InChIInChI=1S/C7H11BrN2/c1-5(2)6-4-9-10(3)7(6)8/h4-5H,1-3H3
InChIKeyHNSXCPUNRGYLIV-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
CID 84785906
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
CID 131107730
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002
4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84806943
5-bromo-4-(chloromethyl)-1-methylpyrazole
CID 130718364
5-isocyanato-1-methyl-4-propan-2-ylpyrazole
CID 105432669
2-(5-bromo-1-methylpyrazol-4-yl)ethanol
CID 84672842
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole
CID 163393222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-4-propan-2-ylpyrazole?
The IUPAC name of 5-bromo-1-methyl-4-propan-2-ylpyrazole (CID 84671203) is 5-bromo-1-methyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 5-bromo-1-methyl-4-propan-2-ylpyrazole?
The canonical SMILES for 5-bromo-1-methyl-4-propan-2-ylpyrazole is CC(C)c1cnn(C)c1Br.
What is the InChIKey of 5-bromo-1-methyl-4-propan-2-ylpyrazole?
The InChIKey is HNSXCPUNRGYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-5(2)6-4-9-10(3)7(6)8/h4-5H,1-3H3.
What are the key properties of 5-bromo-1-methyl-4-propan-2-ylpyrazole?
5-bromo-1-methyl-4-propan-2-ylpyrazole has a molecular weight of 203.08 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 84671203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).