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

C11H16BrN5 — CID 55045198

IUPAC4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(Cc2c(C)nn(C)c2N)c(C)c1Br
InChIInChI=1S/C11H16BrN5/c1-6-9(11(13)16(4)14-6)5-17-8(3)10(12)7(2)15-17/h5,13H2,1-4H3
InChIKeyOFKJBTQUVTVEFF-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.93
Rot. Bonds2

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

4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 55045198) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID55045198
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(Cc2c(C)nn(C)c2N)c(C)c1Br
InChIInChI=1S/C11H16BrN5/c1-6-9(11(13)16(4)14-6)5-17-8(3)10(12)7(2)15-17/h5,13H2,1-4H3
InChIKeyOFKJBTQUVTVEFF-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine (CID 55045198) is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine is Cc1nn(Cc2c(C)nn(C)c2N)c(C)c1Br.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is OFKJBTQUVTVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-6-9(11(13)16(4)14-6)5-17-8(3)10(12)7(2)15-17/h5,13H2,1-4H3.
What are the key properties of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 298.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55045198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).