(4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone

C8H6Br2N4O — CID 699658

IUPAC(4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone
SMILESCn1cc(Br)c(C(=O)n2cc(Br)cn2)n1
InChIInChI=1S/C8H6Br2N4O/c1-13-4-6(10)7(12-13)8(15)14-3-5(9)2-11-14/h2-4H,1H3
InChIKeyGFZWBNUFTSLGGJ-UHFFFAOYSA-N
MW333.97 g/mol
LogP1.83
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone

(4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone (PubChem CID 699658) has the molecular formula C8H6Br2N4O and a molecular weight of 333.97 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone
PubChem CID699658
Molecular FormulaC8H6Br2N4O
Molecular Weight333.97 g/mol
Exact Mass331.89
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone
SMILESCn1cc(Br)c(C(=O)n2cc(Br)cn2)n1
InChIInChI=1S/C8H6Br2N4O/c1-13-4-6(10)7(12-13)8(15)14-3-5(9)2-11-14/h2-4H,1H3
InChIKeyGFZWBNUFTSLGGJ-UHFFFAOYSA-N
XLogP1.83
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone (CID 699658) is (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone is Cn1cc(Br)c(C(=O)n2cc(Br)cn2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone?
The InChIKey is GFZWBNUFTSLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N4O/c1-13-4-6(10)7(12-13)8(15)14-3-5(9)2-11-14/h2-4H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone?
(4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone has a molecular weight of 333.97 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-(4-bromopyrazol-1-yl)methanone is sourced from PubChem (CID 699658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).