5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole

C16H13BrN2O — CID 46888077

IUPAC5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13BrN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyMOFLDNZCVDMNBF-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.51
Rot. Bonds3

About 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 46888077) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID46888077
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13BrN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyMOFLDNZCVDMNBF-UHFFFAOYSA-N
XLogP4.51
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 102325228
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
1-[4-(dimethylamino)phenyl]ethanone;4-methoxybenzoyl chloride;4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-N,N-dimethylaniline
CID 160572300

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 46888077) is 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is MOFLDNZCVDMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 329.20 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 46888077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).