(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone

C10H11BrN4O — CID 777552

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCc1nn(C(=O)c2ccnn2C)c(C)c1Br
InChIInChI=1S/C10H11BrN4O/c1-6-9(11)7(2)15(13-6)10(16)8-4-5-12-14(8)3/h4-5H,1-3H3
InChIKeyMZVWCIRKBKGRDK-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.68
Rot. Bonds1

About (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 777552) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID777552
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCc1nn(C(=O)c2ccnn2C)c(C)c1Br
InChIInChI=1S/C10H11BrN4O/c1-6-9(11)7(2)15(13-6)10(16)8-4-5-12-14(8)3/h4-5H,1-3H3
InChIKeyMZVWCIRKBKGRDK-UHFFFAOYSA-N
XLogP1.68
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone (CID 777552) is (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone is Cc1nn(C(=O)c2ccnn2C)c(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MZVWCIRKBKGRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-6-9(11)7(2)15(13-6)10(16)8-4-5-12-14(8)3/h4-5H,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 283.13 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 777552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).