(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

C13H13BrClFN2O — CID 106765132

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2ccc(Br)c(Cl)c2F)n(C)n1
InChIInChI=1S/C13H13BrClFN2O/c1-3-7-6-10(18(2)17-7)13(19)8-4-5-9(14)11(15)12(8)16/h4-6,13,19H,3H2,1-2H3
InChIKeyZLVSMLMZSBHJEQ-UHFFFAOYSA-N
MW347.62 g/mol
LogP3.62
Rot. Bonds3

About (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (PubChem CID 106765132) has the molecular formula C13H13BrClFN2O and a molecular weight of 347.62 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
PubChem CID106765132
Molecular FormulaC13H13BrClFN2O
Molecular Weight347.62 g/mol
Exact Mass345.99
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2ccc(Br)c(Cl)c2F)n(C)n1
InChIInChI=1S/C13H13BrClFN2O/c1-3-7-6-10(18(2)17-7)13(19)8-4-5-9(14)11(15)12(8)16/h4-6,13,19H,3H2,1-2H3
InChIKeyZLVSMLMZSBHJEQ-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 103524545
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (CID 106765132) is (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is CCc1cc(C(O)c2ccc(Br)c(Cl)c2F)n(C)n1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The InChIKey is ZLVSMLMZSBHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O/c1-3-7-6-10(18(2)17-7)13(19)8-4-5-9(14)11(15)12(8)16/h4-6,13,19H,3H2,1-2H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol has a molecular weight of 347.62 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 106765132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).