4-bromo-1,3-dimethyl-5-phenylpyrazole

C11H11BrN2 — CID 68935937

IUPAC4-bromo-1,3-dimethyl-5-phenylpyrazole
SMILESCc1nn(C)c(-c2ccccc2)c1Br
InChIInChI=1S/C11H11BrN2/c1-8-10(12)11(14(2)13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyNWSJUXQHDCJHIF-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.16
Rot. Bonds1

About 4-bromo-1,3-dimethyl-5-phenylpyrazole

4-bromo-1,3-dimethyl-5-phenylpyrazole (PubChem CID 68935937) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-5-phenylpyrazole.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-5-phenylpyrazole
PubChem CID68935937
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name4-bromo-1,3-dimethyl-5-phenylpyrazole
SMILESCc1nn(C)c(-c2ccccc2)c1Br
InChIInChI=1S/C11H11BrN2/c1-8-10(12)11(14(2)13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyNWSJUXQHDCJHIF-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-5-phenylpyrazole?
The IUPAC name of 4-bromo-1,3-dimethyl-5-phenylpyrazole (CID 68935937) is 4-bromo-1,3-dimethyl-5-phenylpyrazole.
What is the SMILES notation for 4-bromo-1,3-dimethyl-5-phenylpyrazole?
The canonical SMILES for 4-bromo-1,3-dimethyl-5-phenylpyrazole is Cc1nn(C)c(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-1,3-dimethyl-5-phenylpyrazole?
The InChIKey is NWSJUXQHDCJHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-10(12)11(14(2)13-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 4-bromo-1,3-dimethyl-5-phenylpyrazole?
4-bromo-1,3-dimethyl-5-phenylpyrazole has a molecular weight of 251.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-5-phenylpyrazole is sourced from PubChem (CID 68935937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).