4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine

C8H12BrN5 — CID 23330504

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C8H12BrN5/c1-5-6(9)7(14(2)13-5)12-8-10-3-4-11-8/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeyKXWQWHHLXRYERV-UHFFFAOYSA-N
MW258.12 g/mol
LogP0.86
Rot. Bonds1

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine (PubChem CID 23330504) has the molecular formula C8H12BrN5 and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine
PubChem CID23330504
Molecular FormulaC8H12BrN5
Molecular Weight258.12 g/mol
Exact Mass257.03
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C8H12BrN5/c1-5-6(9)7(14(2)13-5)12-8-10-3-4-11-8/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeyKXWQWHHLXRYERV-UHFFFAOYSA-N
XLogP0.86
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine (CID 23330504) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(NC2=NCCN2)c1Br.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is KXWQWHHLXRYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN5/c1-5-6(9)7(14(2)13-5)12-8-10-3-4-11-8/h3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 258.12 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 23330504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).