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

C11H16BrN5 — CID 7017863

IUPAC1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N
InChIInChI=1S/C11H16BrN5/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5,13H2,1-4H3
InChIKeyZHQFPYOFDZTGEE-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.16
Rot. Bonds2

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

1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 7017863) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID7017863
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC Name1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N
InChIInChI=1S/C11H16BrN5/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5,13H2,1-4H3
InChIKeyZHQFPYOFDZTGEE-UHFFFAOYSA-N
XLogP2.16
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.16
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?
The IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine (CID 7017863) is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(Cn2nc(C)c(Br)c2C)c(C)c1N.
What is the InChIKey of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is ZHQFPYOFDZTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5,13H2,1-4H3.
What are the key properties of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 298.19 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 7017863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).