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

C7H11BrClN5 — CID 70593633

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride
SMILESCl.Cn1ncc(Br)c1NC1=NCCN1
InChIInChI=1S/C7H10BrN5.ClH/c1-13-6(5(8)4-11-13)12-7-9-2-3-10-7;/h4H,2-3H2,1H3,(H2,9,10,12);1H
InChIKeyPAUSYZOMZMEFFC-UHFFFAOYSA-N
MW280.56 g/mol
LogP0.98
Rot. Bonds1

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

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride (PubChem CID 70593633) has the molecular formula C7H11BrClN5 and a molecular weight of 280.56 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride
PubChem CID70593633
Molecular FormulaC7H11BrClN5
Molecular Weight280.56 g/mol
Exact Mass278.99
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride
SMILESCl.Cn1ncc(Br)c1NC1=NCCN1
InChIInChI=1S/C7H10BrN5.ClH/c1-13-6(5(8)4-11-13)12-7-9-2-3-10-7;/h4H,2-3H2,1H3,(H2,9,10,12);1H
InChIKeyPAUSYZOMZMEFFC-UHFFFAOYSA-N
XLogP0.98
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.56
LogP ≤ 50.98
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-methylpyrazol-5-amine;hydrochloride?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride (CID 70593633) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride is Cl.Cn1ncc(Br)c1NC1=NCCN1.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride?
The InChIKey is PAUSYZOMZMEFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5.ClH/c1-13-6(5(8)4-11-13)12-7-9-2-3-10-7;/h4H,2-3H2,1H3,(H2,9,10,12);1H.
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazol-5-amine;hydrochloride has a molecular weight of 280.56 g/mol, XLogP of 0.98, 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;hydrochloride is sourced from PubChem (CID 70593633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).