4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine

C8H10BrN5 — CID 131183403

IUPAC4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine
SMILESNc1nn(CCn2ccnc2)cc1Br
InChIInChI=1S/C8H10BrN5/c9-7-5-14(12-8(7)10)4-3-13-2-1-11-6-13/h1-2,5-6H,3-4H2,(H2,10,12)
InChIKeyCOKDKOMZIGFDPI-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.12
Rot. Bonds3

About 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine

4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine (PubChem CID 131183403) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine
PubChem CID131183403
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC Name4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine
SMILESNc1nn(CCn2ccnc2)cc1Br
InChIInChI=1S/C8H10BrN5/c9-7-5-14(12-8(7)10)4-3-13-2-1-11-6-13/h1-2,5-6H,3-4H2,(H2,10,12)
InChIKeyCOKDKOMZIGFDPI-UHFFFAOYSA-N
XLogP1.12
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine (CID 131183403) is 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine is Nc1nn(CCn2ccnc2)cc1Br.
What is the InChIKey of 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine?
The InChIKey is COKDKOMZIGFDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c9-7-5-14(12-8(7)10)4-3-13-2-1-11-6-13/h1-2,5-6H,3-4H2,(H2,10,12).
What are the key properties of 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine?
4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine has a molecular weight of 256.11 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 131183403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).