4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole

C7H7BrN4 — CID 96602992

IUPAC4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole
SMILESCc1[nH]ncc1-n1cc(Br)cn1
InChIInChI=1S/C7H7BrN4/c1-5-7(3-9-11-5)12-4-6(8)2-10-12/h2-4H,1H3,(H,9,11)
InChIKeyKGSOYTSVOWZZRA-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.67
Rot. Bonds1

About 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole

4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole (PubChem CID 96602992) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole
PubChem CID96602992
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole
SMILESCc1[nH]ncc1-n1cc(Br)cn1
InChIInChI=1S/C7H7BrN4/c1-5-7(3-9-11-5)12-4-6(8)2-10-12/h2-4H,1H3,(H,9,11)
InChIKeyKGSOYTSVOWZZRA-UHFFFAOYSA-N
XLogP1.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
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1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
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1-[3-bromo-4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 62910663
[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
CID 79516871
1-bromo-4-(4-bromopyrazol-1-yl)pyrazole
CID 102044322
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole?
The IUPAC name of 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole (CID 96602992) is 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole.
What is the SMILES notation for 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole?
The canonical SMILES for 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole is Cc1[nH]ncc1-n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole?
The InChIKey is KGSOYTSVOWZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-5-7(3-9-11-5)12-4-6(8)2-10-12/h2-4H,1H3,(H,9,11).
What are the key properties of 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole?
4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole has a molecular weight of 227.06 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5-methyl-1H-pyrazol-4-yl)pyrazole is sourced from PubChem (CID 96602992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).