(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol

C13H13BrClFN2O — CID 114643499

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H13BrClFN2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-4-3-8(16)5-11(9)15/h3-7,13,19H,1-2H3
InChIKeyYWGATZCXCTZZPF-UHFFFAOYSA-N
MW347.62 g/mol
LogP4.10
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol (PubChem CID 114643499) has the molecular formula C13H13BrClFN2O and a molecular weight of 347.62 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
PubChem CID114643499
Molecular FormulaC13H13BrClFN2O
Molecular Weight347.62 g/mol
Exact Mass345.99
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H13BrClFN2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-4-3-8(16)5-11(9)15/h3-7,13,19H,1-2H3
InChIKeyYWGATZCXCTZZPF-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
(2-bromo-3,4-difluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538287
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114885779
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115835163
[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835362
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol (CID 114643499) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol is CC(C)n1ncc(Br)c1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol?
The InChIKey is YWGATZCXCTZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-4-3-8(16)5-11(9)15/h3-7,13,19H,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol has a molecular weight of 347.62 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 114643499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).