1-(4-bromophenyl)-4-ethylpyrazole

C11H11BrN2 — CID 84804013

IUPAC1-(4-bromophenyl)-4-ethylpyrazole
SMILESCCc1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C11H11BrN2/c1-2-9-7-13-14(8-9)11-5-3-10(12)4-6-11/h3-8H,2H2,1H3
InChIKeyXIWXYXAREFJBED-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.20
Rot. Bonds2

About 1-(4-bromophenyl)-4-ethylpyrazole

1-(4-bromophenyl)-4-ethylpyrazole (PubChem CID 84804013) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-ethylpyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-ethylpyrazole
PubChem CID84804013
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name1-(4-bromophenyl)-4-ethylpyrazole
SMILESCCc1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C11H11BrN2/c1-2-9-7-13-14(8-9)11-5-3-10(12)4-6-11/h3-8H,2H2,1H3
InChIKeyXIWXYXAREFJBED-UHFFFAOYSA-N
XLogP3.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 55024110
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
5-(4-ethylpyrazol-1-yl)pyridin-2-amine
CID 58399291
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504
(2R)-2-[[1-(4-bromophenyl)pyrazol-4-yl]methylamino]-3-methylbutanoic acid
CID 120913346
4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958445
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 112839320
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]ethanamine
CID 61036315
2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole
CID 164655719
2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine
CID 164655760
1-phenyl-4-propylpyrazole
CID 12902534

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-ethylpyrazole?
The IUPAC name of 1-(4-bromophenyl)-4-ethylpyrazole (CID 84804013) is 1-(4-bromophenyl)-4-ethylpyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-ethylpyrazole?
The canonical SMILES for 1-(4-bromophenyl)-4-ethylpyrazole is CCc1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-4-ethylpyrazole?
The InChIKey is XIWXYXAREFJBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-2-9-7-13-14(8-9)11-5-3-10(12)4-6-11/h3-8H,2H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-ethylpyrazole?
1-(4-bromophenyl)-4-ethylpyrazole has a molecular weight of 251.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-ethylpyrazole is sourced from PubChem (CID 84804013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).