(5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

C13H14BrClN2O — CID 114197513

IUPAC(5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1nccc1C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2O/c1-8(2)17-12(5-6-16-17)13(18)10-7-9(14)3-4-11(10)15/h3-8,13,18H,1-2H3
InChIKeyBXNCFSSHHLGIGX-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.96
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

(5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol (PubChem CID 114197513) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
PubChem CID114197513
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name(5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1nccc1C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2O/c1-8(2)17-12(5-6-16-17)13(18)10-7-9(14)3-4-11(10)15/h3-8,13,18H,1-2H3
InChIKeyBXNCFSSHHLGIGX-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
CID 114197501
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 83388208
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198024
3-(2-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 130479931
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 115827983
(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198042
N-[(5-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858618

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol (CID 114197513) is (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol is CC(C)n1nccc1C(O)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
The InChIKey is BXNCFSSHHLGIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-8(2)17-12(5-6-16-17)13(18)10-7-9(14)3-4-11(10)15/h3-8,13,18H,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
(5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol has a molecular weight of 329.63 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol is sourced from PubChem (CID 114197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).