(5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone

C12H11BrN2O2 — CID 70700479

IUPAC(5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(Br)ccc2O)cn1
InChIInChI=1S/C12H11BrN2O2/c1-2-15-7-8(6-14-15)12(17)10-5-9(13)3-4-11(10)16/h3-7,16H,2H2,1H3
InChIKeyJVDPDIQNODJNRA-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.60
Rot. Bonds3

About (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone

(5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 70700479) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID70700479
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(Br)ccc2O)cn1
InChIInChI=1S/C12H11BrN2O2/c1-2-15-7-8(6-14-15)12(17)10-5-9(13)3-4-11(10)16/h3-7,16H,2H2,1H3
InChIKeyJVDPDIQNODJNRA-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone (CID 70700479) is (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2cc(Br)ccc2O)cn1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is JVDPDIQNODJNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-2-15-7-8(6-14-15)12(17)10-5-9(13)3-4-11(10)16/h3-7,16H,2H2,1H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 295.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 70700479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).