4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole

C17H15BrN2O — CID 107958445

IUPAC4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
SMILESCCOc1ccc(-n2cc(-c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C17H15BrN2O/c1-2-21-17-9-7-16(8-10-17)20-12-14(11-19-20)13-3-5-15(18)6-4-13/h3-12H,2H2,1H3
InChIKeyLQXGOGCVITUONI-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.70
Rot. Bonds4

About 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole

4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole (PubChem CID 107958445) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
PubChem CID107958445
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
SMILESCCOc1ccc(-n2cc(-c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C17H15BrN2O/c1-2-21-17-9-7-16(8-10-17)20-12-14(11-19-20)13-3-5-15(18)6-4-13/h3-12H,2H2,1H3
InChIKeyLQXGOGCVITUONI-UHFFFAOYSA-N
XLogP4.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
CID 107958440
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
ethane;4-ethoxy-1-(4-methylphenyl)pyrazole
CID 145188888
1-(4-bromophenyl)-4-ethylpyrazole
CID 84804013
4-(4-ethoxypyrazol-1-yl)phenol
CID 117229696
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
4-(4-ethoxyphenyl)-1-prop-2-ynylpyrazole
CID 97034177
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole?
The IUPAC name of 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole (CID 107958445) is 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole.
What is the SMILES notation for 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole?
The canonical SMILES for 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole is CCOc1ccc(-n2cc(-c3ccc(Br)cc3)cn2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole?
The InChIKey is LQXGOGCVITUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-2-21-17-9-7-16(8-10-17)20-12-14(11-19-20)13-3-5-15(18)6-4-13/h3-12H,2H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole?
4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole has a molecular weight of 343.22 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole is sourced from PubChem (CID 107958445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).