[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol

C13H14BrClN2O — CID 43333647

IUPAC[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(Br)cc2)c(Cl)c1CO
InChIInChI=1S/C13H14BrClN2O/c1-8(2)12-11(7-18)13(15)17(16-12)10-5-3-9(14)4-6-10/h3-6,8,18H,7H2,1-2H3
InChIKeyTUQLBIIXMMVITF-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.90
Rot. Bonds3

About [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol

[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 43333647) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
PubChem CID43333647
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(Br)cc2)c(Cl)c1CO
InChIInChI=1S/C13H14BrClN2O/c1-8(2)12-11(7-18)13(15)17(16-12)10-5-3-9(14)4-6-10/h3-6,8,18H,7H2,1-2H3
InChIKeyTUQLBIIXMMVITF-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 81254769
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333643
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 110887880
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
1-(4-bromophenyl)-6-oxo-3-propan-2-ylpyridazine-4-carboxylic acid
CID 84611043
1-(4-chlorophenyl)-4-methyl-3-propan-2-ylpyrazole-5-carboxylic acid
CID 22831922
1-(4-bromophenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237134
[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol
CID 63173050
[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
CID 62892945
1-(4-bromophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381361

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol (CID 43333647) is [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol is CC(C)c1nn(-c2ccc(Br)cc2)c(Cl)c1CO.
What is the InChIKey of [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is TUQLBIIXMMVITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-8(2)12-11(7-18)13(15)17(16-12)10-5-3-9(14)4-6-10/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol?
[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 329.63 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 43333647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).