(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol

C16H12BrFN2O — CID 106648410

IUPAC(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccn(-c2ccccc2)n1)c1cccc(Br)c1F
InChIInChI=1S/C16H12BrFN2O/c17-13-8-4-7-12(15(13)18)16(21)14-9-10-20(19-14)11-5-2-1-3-6-11/h1-10,16,21H
InChIKeyACJCZQOUDVUYAP-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.86
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol

(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol (PubChem CID 106648410) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
PubChem CID106648410
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccn(-c2ccccc2)n1)c1cccc(Br)c1F
InChIInChI=1S/C16H12BrFN2O/c17-13-8-4-7-12(15(13)18)16(21)14-9-10-20(19-14)11-5-2-1-3-6-11/h1-10,16,21H
InChIKeyACJCZQOUDVUYAP-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 105150847
furan-2-yl-(1-phenylpyrazol-3-yl)methanol
CID 105097286
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 106648347
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol (CID 106648410) is (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol is OC(c1ccn(-c2ccccc2)n1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol?
The InChIKey is ACJCZQOUDVUYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-13-8-4-7-12(15(13)18)16(21)14-9-10-20(19-14)11-5-2-1-3-6-11/h1-10,16,21H.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol?
(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol has a molecular weight of 347.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 106648410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).