4-bromo-N,1-dimethylpyrazol-5-amine

C5H8BrN3 — CID 59594500

IUPAC4-bromo-N,1-dimethylpyrazol-5-amine
SMILESCNc1c(Br)cnn1C
InChIInChI=1S/C5H8BrN3/c1-7-5-4(6)3-8-9(5)2/h3,7H,1-2H3
InChIKeyPPJWMVLJXBNEJD-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.22
Rot. Bonds1

About 4-bromo-N,1-dimethylpyrazol-5-amine

4-bromo-N,1-dimethylpyrazol-5-amine (PubChem CID 59594500) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-N,1-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N,1-dimethylpyrazol-5-amine
PubChem CID59594500
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name4-bromo-N,1-dimethylpyrazol-5-amine
SMILESCNc1c(Br)cnn1C
InChIInChI=1S/C5H8BrN3/c1-7-5-4(6)3-8-9(5)2/h3,7H,1-2H3
InChIKeyPPJWMVLJXBNEJD-UHFFFAOYSA-N
XLogP1.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,1-dimethylpyrazol-5-amine?
The IUPAC name of 4-bromo-N,1-dimethylpyrazol-5-amine (CID 59594500) is 4-bromo-N,1-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N,1-dimethylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N,1-dimethylpyrazol-5-amine is CNc1c(Br)cnn1C.
What is the InChIKey of 4-bromo-N,1-dimethylpyrazol-5-amine?
The InChIKey is PPJWMVLJXBNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-7-5-4(6)3-8-9(5)2/h3,7H,1-2H3.
What are the key properties of 4-bromo-N,1-dimethylpyrazol-5-amine?
4-bromo-N,1-dimethylpyrazol-5-amine has a molecular weight of 190.04 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,1-dimethylpyrazol-5-amine is sourced from PubChem (CID 59594500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).