4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol

C9H15BrN2O — CID 114665060

IUPAC4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
SMILESCC(O)CC(C)c1c(Br)cnn1C
InChIInChI=1S/C9H15BrN2O/c1-6(4-7(2)13)9-8(10)5-11-12(9)3/h5-7,13H,4H2,1-3H3
InChIKeyPSIJFFAWIRGALR-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.06
Rot. Bonds3

About 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol

4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol (PubChem CID 114665060) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
PubChem CID114665060
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
SMILESCC(O)CC(C)c1c(Br)cnn1C
InChIInChI=1S/C9H15BrN2O/c1-6(4-7(2)13)9-8(10)5-11-12(9)3/h5-7,13H,4H2,1-3H3
InChIKeyPSIJFFAWIRGALR-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-(4-bromo-1-methylpyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638589
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
1-(4-bromo-1-methylpyrazol-5-yl)but-2-yn-1-ol
CID 130586642
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
CID 167129375
1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666766
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol (CID 114665060) is 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol is CC(O)CC(C)c1c(Br)cnn1C.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol?
The InChIKey is PSIJFFAWIRGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O/c1-6(4-7(2)13)9-8(10)5-11-12(9)3/h5-7,13H,4H2,1-3H3.
What are the key properties of 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol?
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol has a molecular weight of 247.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 114665060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).