1-(4-bromophenyl)pyrazole

C9H7BrN2 — CID 10443564

IUPAC1-(4-bromophenyl)pyrazole
SMILESBrc1ccc(-n2cccn2)cc1
InChIInChI=1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
InChIKeySQCVGDMTHFQUKS-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.63
Rot. Bonds1

About 1-(4-bromophenyl)pyrazole

1-(4-bromophenyl)pyrazole (PubChem CID 10443564) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)pyrazole
PubChem CID10443564
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name1-(4-bromophenyl)pyrazole
SMILESBrc1ccc(-n2cccn2)cc1
InChIInChI=1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
InChIKeySQCVGDMTHFQUKS-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(E)-(4-pyrazol-1-ylphenyl)methylideneamino]aniline
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1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
CID 167770873
1-(4-ethenylphenyl)pyrazole
CID 59449537
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
1-(4-bromophenyl)triazole
CID 13106108
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
3-bromo-5-pyrazol-1-ylpyridine
CID 66521212
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 63478416
1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
CID 110435884
1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
CID 79322595

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pyrazole?
The IUPAC name of 1-(4-bromophenyl)pyrazole (CID 10443564) is 1-(4-bromophenyl)pyrazole.
What is the SMILES notation for 1-(4-bromophenyl)pyrazole?
The canonical SMILES for 1-(4-bromophenyl)pyrazole is Brc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-bromophenyl)pyrazole?
The InChIKey is SQCVGDMTHFQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H.
What are the key properties of 1-(4-bromophenyl)pyrazole?
1-(4-bromophenyl)pyrazole has a molecular weight of 223.07 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)pyrazole is sourced from PubChem (CID 10443564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).