1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride

C11H17BrClN5 — CID 16640637

IUPAC1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N.Cl
InChIInChI=1S/C11H16BrN5.ClH/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17;/h5,13H2,1-4H3;1H
InChIKeyZEBQDFZKUMGQII-UHFFFAOYSA-N
MW334.65 g/mol
LogP2.59
Rot. Bonds2

About 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride

1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 16640637) has the molecular formula C11H17BrClN5 and a molecular weight of 334.65 g/mol. Its IUPAC name is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
PubChem CID16640637
Molecular FormulaC11H17BrClN5
Molecular Weight334.65 g/mol
Exact Mass333.04
IUPAC Name1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N.Cl
InChIInChI=1S/C11H16BrN5.ClH/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17;/h5,13H2,1-4H3;1H
InChIKeyZEBQDFZKUMGQII-UHFFFAOYSA-N
XLogP2.59
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride (CID 16640637) is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N.Cl.
What is the InChIKey of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is ZEBQDFZKUMGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5.ClH/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17;/h5,13H2,1-4H3;1H.
What are the key properties of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 334.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 16640637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).