1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol

C10H17BrN2O2 — CID 103454535

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
SMILESCCC(O)C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C10H17BrN2O2/c1-4-8(14)10(15)9-7(11)5-12-13(9)6(2)3/h5-6,8,10,14-15H,4H2,1-3H3
InChIKeyBYLWOAPRVFMZJP-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.03
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol (PubChem CID 103454535) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
PubChem CID103454535
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
SMILESCCC(O)C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C10H17BrN2O2/c1-4-8(14)10(15)9-7(11)5-12-13(9)6(2)3/h5-6,8,10,14-15H,4H2,1-3H3
InChIKeyBYLWOAPRVFMZJP-UHFFFAOYSA-N
XLogP2.03
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-ol
CID 114643705
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
CID 103456487
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
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-ethylbutyl]hydrazine
CID 105336913
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572729
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine
CID 114667634
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
CID 105337015

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol (CID 103454535) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol is CCC(O)C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol?
The InChIKey is BYLWOAPRVFMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-4-8(14)10(15)9-7(11)5-12-13(9)6(2)3/h5-6,8,10,14-15H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol has a molecular weight of 277.16 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol is sourced from PubChem (CID 103454535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).