4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole

C10H12BrN3 — CID 67042384

IUPAC4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
SMILESCc1ccc(C)n1-c1nn(C)cc1Br
InChIInChI=1S/C10H12BrN3/c1-7-4-5-8(2)14(7)10-9(11)6-13(3)12-10/h4-6H,1-3H3
InChIKeyKZKFXTODEGAGMX-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.59
Rot. Bonds1

About 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole

4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole (PubChem CID 67042384) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
PubChem CID67042384
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
SMILESCc1ccc(C)n1-c1nn(C)cc1Br
InChIInChI=1S/C10H12BrN3/c1-7-4-5-8(2)14(7)10-9(11)6-13(3)12-10/h4-6H,1-3H3
InChIKeyKZKFXTODEGAGMX-UHFFFAOYSA-N
XLogP2.59
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
The IUPAC name of 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole (CID 67042384) is 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
The canonical SMILES for 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole is Cc1ccc(C)n1-c1nn(C)cc1Br.
What is the InChIKey of 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
The InChIKey is KZKFXTODEGAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7-4-5-8(2)14(7)10-9(11)6-13(3)12-10/h4-6H,1-3H3.
What are the key properties of 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole?
4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole has a molecular weight of 254.13 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole is sourced from PubChem (CID 67042384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).