1-bromo-4-(4-bromopyrazol-1-yl)pyrazole

C6H4Br2N4 — CID 102044322

IUPAC1-bromo-4-(4-bromopyrazol-1-yl)pyrazole
SMILESBrc1cnn(-c2cnn(Br)c2)c1
InChIInChI=1S/C6H4Br2N4/c7-5-1-9-11(3-5)6-2-10-12(8)4-6/h1-4H
InChIKeyCCEZDTMROVIKGQ-UHFFFAOYSA-N
MW291.93 g/mol
LogP1.99
Rot. Bonds1

About 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole

1-bromo-4-(4-bromopyrazol-1-yl)pyrazole (PubChem CID 102044322) has the molecular formula C6H4Br2N4 and a molecular weight of 291.93 g/mol. Its IUPAC name is 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name1-bromo-4-(4-bromopyrazol-1-yl)pyrazole
PubChem CID102044322
Molecular FormulaC6H4Br2N4
Molecular Weight291.93 g/mol
Exact Mass289.88
IUPAC Name1-bromo-4-(4-bromopyrazol-1-yl)pyrazole
SMILESBrc1cnn(-c2cnn(Br)c2)c1
InChIInChI=1S/C6H4Br2N4/c7-5-1-9-11(3-5)6-2-10-12(8)4-6/h1-4H
InChIKeyCCEZDTMROVIKGQ-UHFFFAOYSA-N
XLogP1.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.93
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-5-(4-bromopyrazol-1-yl)phenol
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3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde
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(E)-3-[4-(4-bromopyrazol-1-yl)phenyl]prop-2-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole?
The IUPAC name of 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole (CID 102044322) is 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole.
What is the SMILES notation for 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole?
The canonical SMILES for 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole is Brc1cnn(-c2cnn(Br)c2)c1.
What is the InChIKey of 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole?
The InChIKey is CCEZDTMROVIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2N4/c7-5-1-9-11(3-5)6-2-10-12(8)4-6/h1-4H.
What are the key properties of 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole?
1-bromo-4-(4-bromopyrazol-1-yl)pyrazole has a molecular weight of 291.93 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromopyrazol-1-yl)pyrazole is sourced from PubChem (CID 102044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).