(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol

C17H15BrN2O — CID 107332266

IUPAC(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESCc1cc(Br)cc(C(O)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C17H15BrN2O/c1-12-9-13(11-14(18)10-12)17(21)16-7-8-19-20(16)15-5-3-2-4-6-15/h2-11,17,21H,1H3
InChIKeyOKMZFGSPVVROKM-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.02
Rot. Bonds3

About (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol

(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol (PubChem CID 107332266) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol
PubChem CID107332266
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESCc1cc(Br)cc(C(O)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C17H15BrN2O/c1-12-9-13(11-14(18)10-12)17(21)16-7-8-19-20(16)15-5-3-2-4-6-15/h2-11,17,21H,1H3
InChIKeyOKMZFGSPVVROKM-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332331
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(6-chloro-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330378
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 66424235
(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330323

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol (CID 107332266) is (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol is Cc1cc(Br)cc(C(O)c2ccnn2-c2ccccc2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol?
The InChIKey is OKMZFGSPVVROKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-12-9-13(11-14(18)10-12)17(21)16-7-8-19-20(16)15-5-3-2-4-6-15/h2-11,17,21H,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol?
(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol has a molecular weight of 343.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 107332266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).