1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol

C10H17BrN2O2 — CID 114645635

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1c(Br)cnn1C
InChIInChI=1S/C10H17BrN2O2/c1-6(2)10(15-4)9(14)8-7(11)5-12-13(8)3/h5-6,9-10,14H,1-4H3
InChIKeyUIXBHXMVTGBDIE-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.89
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 114645635) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
PubChem CID114645635
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1c(Br)cnn1C
InChIInChI=1S/C10H17BrN2O2/c1-6(2)10(15-4)9(14)8-7(11)5-12-13(8)3/h5-6,9-10,14H,1-4H3
InChIKeyUIXBHXMVTGBDIE-UHFFFAOYSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-(4-bromo-1-methylpyrazol-5-yl)but-2-yn-1-ol
CID 130586642
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
CID 167129375
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
CID 83843732
3-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentanal
CID 83844350
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114661194
1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114634255

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol (CID 114645635) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol is COC(C(C)C)C(O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is UIXBHXMVTGBDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-6(2)10(15-4)9(14)8-7(11)5-12-13(8)3/h5-6,9-10,14H,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 277.16 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 114645635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).