4-(4-bromophenyl)-5-ethoxy-1H-pyrazole

C11H11BrN2O — CID 68572980

IUPAC4-(4-bromophenyl)-5-ethoxy-1H-pyrazole
SMILESCCOc1[nH]ncc1-c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-2-15-11-10(7-13-14-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyCEVMEUUOQXFTCA-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.24
Rot. Bonds3

About 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole

4-(4-bromophenyl)-5-ethoxy-1H-pyrazole (PubChem CID 68572980) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-ethoxy-1H-pyrazole
PubChem CID68572980
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-(4-bromophenyl)-5-ethoxy-1H-pyrazole
SMILESCCOc1[nH]ncc1-c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-2-15-11-10(7-13-14-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyCEVMEUUOQXFTCA-UHFFFAOYSA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole?
The IUPAC name of 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole (CID 68572980) is 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole?
The canonical SMILES for 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole is CCOc1[nH]ncc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole?
The InChIKey is CEVMEUUOQXFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-15-11-10(7-13-14-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole?
4-(4-bromophenyl)-5-ethoxy-1H-pyrazole has a molecular weight of 267.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-ethoxy-1H-pyrazole is sourced from PubChem (CID 68572980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).