3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C6H3BrN4 — CID 138040306

IUPAC3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(Br)cnc12
InChIInChI=1S/C6H3BrN4/c7-5-3-9-6-4(1-8)2-10-11(5)6/h2-3,10H
InChIKeyJJMHUAPDNAQRDR-UHFFFAOYSA-N
MW211.02 g/mol
LogP1.30
Rot. Bonds

About 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 138040306) has the molecular formula C6H3BrN4 and a molecular weight of 211.02 g/mol. Its IUPAC name is 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID138040306
Molecular FormulaC6H3BrN4
Molecular Weight211.02 g/mol
Exact Mass209.95
IUPAC Name3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(Br)cnc12
InChIInChI=1S/C6H3BrN4/c7-5-3-9-6-4(1-8)2-10-11(5)6/h2-3,10H
InChIKeyJJMHUAPDNAQRDR-UHFFFAOYSA-N
XLogP1.30
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 138040306) is 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is N#Cc1c[nH]n2c(Br)cnc12.
What is the InChIKey of 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is JJMHUAPDNAQRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4/c7-5-3-9-6-4(1-8)2-10-11(5)6/h2-3,10H.
What are the key properties of 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 211.02 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 138040306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).