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

C12H21BrN2O — CID 114633735

IUPAC2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H21BrN2O/c1-6-9(4)12(5,16)11-10(13)7-14-15(11)8(2)3/h7-9,16H,6H2,1-5H3
InChIKeyWXXISLDVDPPAEW-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.48
Rot. Bonds4

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

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol (PubChem CID 114633735) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
PubChem CID114633735
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H21BrN2O/c1-6-9(4)12(5,16)11-10(13)7-14-15(11)8(2)3/h7-9,16H,6H2,1-5H3
InChIKeyWXXISLDVDPPAEW-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)heptan-2-ol
CID 114637132
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666040
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
CID 114865658
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636350
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3,5-difluorophenyl)ethanol
CID 114637010
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoropropan-1-one
CID 130648385
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
5-tert-butyl-1-propan-2-ylpyrazol-4-amine
CID 105439735
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol?
The IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol (CID 114633735) is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol?
The canonical SMILES for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol is CCC(C)C(C)(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol?
The InChIKey is WXXISLDVDPPAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O/c1-6-9(4)12(5,16)11-10(13)7-14-15(11)8(2)3/h7-9,16H,6H2,1-5H3.
What are the key properties of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol?
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol has a molecular weight of 289.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol is sourced from PubChem (CID 114633735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).