4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine

C11H16BrN5 — CID 66164781

IUPAC4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine
SMILESCc1nn(Cc2cncn2C(C)C)c(N)c1Br
InChIInChI=1S/C11H16BrN5/c1-7(2)16-6-14-4-9(16)5-17-11(13)10(12)8(3)15-17/h4,6-7H,5,13H2,1-3H3
InChIKeyXZTGRAGJWQZYAG-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.36
Rot. Bonds3

About 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine

4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine (PubChem CID 66164781) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine
PubChem CID66164781
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC Name4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine
SMILESCc1nn(Cc2cncn2C(C)C)c(N)c1Br
InChIInChI=1S/C11H16BrN5/c1-7(2)16-6-14-4-9(16)5-17-11(13)10(12)8(3)15-17/h4,6-7H,5,13H2,1-3H3
InChIKeyXZTGRAGJWQZYAG-UHFFFAOYSA-N
XLogP2.36
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine (CID 66164781) is 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine is Cc1nn(Cc2cncn2C(C)C)c(N)c1Br.
What is the InChIKey of 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine?
The InChIKey is XZTGRAGJWQZYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-7(2)16-6-14-4-9(16)5-17-11(13)10(12)8(3)15-17/h4,6-7H,5,13H2,1-3H3.
What are the key properties of 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine?
4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine has a molecular weight of 298.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 66164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).