3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine

C8H10BrN5 — CID 127006262

IUPAC3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cnn(C)c2Br)cc1N
InChIInChI=1S/C8H10BrN5/c1-13-7(10)3-6(12-13)5-4-11-14(2)8(5)9/h3-4H,10H2,1-2H3
InChIKeyJSLWNJXVWMKEGT-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.17
Rot. Bonds1

About 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine

3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine (PubChem CID 127006262) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
PubChem CID127006262
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC Name3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cnn(C)c2Br)cc1N
InChIInChI=1S/C8H10BrN5/c1-13-7(10)3-6(12-13)5-4-11-14(2)8(5)9/h3-4H,10H2,1-2H3
InChIKeyJSLWNJXVWMKEGT-UHFFFAOYSA-N
XLogP1.17
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine (CID 127006262) is 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cnn(C)c2Br)cc1N.
What is the InChIKey of 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine?
The InChIKey is JSLWNJXVWMKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c1-13-7(10)3-6(12-13)5-4-11-14(2)8(5)9/h3-4H,10H2,1-2H3.
What are the key properties of 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine?
3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine has a molecular weight of 256.11 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 127006262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).