1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol

C16H21BrN2O — CID 105128368

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2c(Br)cnn2C(C)C)cc1
InChIInChI=1S/C16H21BrN2O/c1-11(2)19-16(14(17)10-18-19)15(20)9-8-13-6-4-12(3)5-7-13/h4-7,10-11,15,20H,8-9H2,1-3H3
InChIKeyYKXRUCRYNREODJ-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 105128368) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
PubChem CID105128368
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2c(Br)cnn2C(C)C)cc1
InChIInChI=1S/C16H21BrN2O/c1-11(2)19-16(14(17)10-18-19)15(20)9-8-13-6-4-12(3)5-7-13/h4-7,10-11,15,20H,8-9H2,1-3H3
InChIKeyYKXRUCRYNREODJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547630
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644213

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol (CID 105128368) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CCC(O)c2c(Br)cnn2C(C)C)cc1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is YKXRUCRYNREODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11(2)19-16(14(17)10-18-19)15(20)9-8-13-6-4-12(3)5-7-13/h4-7,10-11,15,20H,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 337.26 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105128368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).