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

C7H10BrN5 — CID 12763844

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1NC1=NCCN1
InChIInChI=1S/C7H10BrN5/c1-13-6(5(8)4-11-13)12-7-9-2-3-10-7/h4H,2-3H2,1H3,(H2,9,10,12)
InChIKeyJGQBVGQNJTUSPG-UHFFFAOYSA-N
MW244.10 g/mol
LogP0.55
Rot. Bonds1

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

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine (PubChem CID 12763844) has the molecular formula C7H10BrN5 and a molecular weight of 244.10 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine
PubChem CID12763844
Molecular FormulaC7H10BrN5
Molecular Weight244.10 g/mol
Exact Mass243.01
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1NC1=NCCN1
InChIInChI=1S/C7H10BrN5/c1-13-6(5(8)4-11-13)12-7-9-2-3-10-7/h4H,2-3H2,1H3,(H2,9,10,12)
InChIKeyJGQBVGQNJTUSPG-UHFFFAOYSA-N
XLogP0.55
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Bromo-1-methyl-1H-pyrazol-5-amine
CID 600351
7-bromo-1H,2H,3H-pyrazolo(1,5-a)imidazole hydrobromide
CID 135539581
7-bromo-1H,2H,3H-pyrazolo[1,5-a]imidazole
CID 425894
3-bromo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 136328632
7-bromo-1-methyl-1H,2H,3H-pyrazolo[1,5-a]imidazole
CID 83819465
4-bromo-1-methyl-1H-pyrazol-5-amine hydrobromide
CID 122156616
3-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329515
N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
CID 63962899
2(1-Methyl-5-pyrazolyl) amino-2-imidazoline
CID 12763813
4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
CID 12763841
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine
CID 12763845
N5,1-Diethyl-1H-pyrazole-4,5-diamine
CID 13007220

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine (CID 12763844) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine is Cn1ncc(Br)c1NC1=NCCN1.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is JGQBVGQNJTUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5/c1-13-6(5(8)4-11-13)12-7-9-2-3-10-7/h4H,2-3H2,1H3,(H2,9,10,12).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 244.10 g/mol, XLogP of 0.55, 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-methylpyrazol-5-amine is sourced from PubChem (CID 12763844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).