1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol

C11H19BrN2O2 — CID 114644662

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H19BrN2O2/c1-7(2)14-9(8(12)6-13-14)10(15)11(3,4)16-5/h6-7,10,15H,1-5H3
InChIKeyGDFLCFZMDDUKQC-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol (PubChem CID 114644662) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol
PubChem CID114644662
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H19BrN2O2/c1-7(2)14-9(8(12)6-13-14)10(15)11(3,4)16-5/h6-7,10,15H,1-5H3
InChIKeyGDFLCFZMDDUKQC-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
CID 114638199
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025491
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-ol
CID 114643705
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol (CID 114644662) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol is COC(C)(C)C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol?
The InChIKey is GDFLCFZMDDUKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-7(2)14-9(8(12)6-13-14)10(15)11(3,4)16-5/h6-7,10,15H,1-5H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol has a molecular weight of 291.19 g/mol, XLogP of 2.68, 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-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 114644662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).