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

C16H11BrN2O2 — CID 688693

IUPAC(5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O
InChIInChI=1S/C16H11BrN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChIKeyMPZOVJOEZZCBKJ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.57
Rot. Bonds3

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

(5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 688693) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID688693
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name(5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O
InChIInChI=1S/C16H11BrN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChIKeyMPZOVJOEZZCBKJ-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.57
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-phenylpyrazol-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 688693) is (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is MPZOVJOEZZCBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 343.18 g/mol, XLogP of 3.57, 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-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 688693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).