1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol

C11H19BrN2O2 — CID 103456487

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
SMILESCC(C)C(O)C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H19BrN2O2/c1-6(2)10(15)11(16)9-8(12)5-13-14(9)7(3)4/h5-7,10-11,15-16H,1-4H3
InChIKeyMZDJIVZEZNHQSN-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.28
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol (PubChem CID 103456487) 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)-3-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
PubChem CID103456487
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
SMILESCC(C)C(O)C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H19BrN2O2/c1-6(2)10(15)11(16)9-8(12)5-13-14(9)7(3)4/h5-7,10-11,15-16H,1-4H3
InChIKeyMZDJIVZEZNHQSN-UHFFFAOYSA-N
XLogP2.28
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)butane-1,2-diol
CID 103454535
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-ol
CID 114643705
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
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-methoxy-2-methylpropan-1-ol
CID 114644662
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol (CID 103456487) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol is CC(C)C(O)C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol?
The InChIKey is MZDJIVZEZNHQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-6(2)10(15)11(16)9-8(12)5-13-14(9)7(3)4/h5-7,10-11,15-16H,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol has a molecular weight of 291.19 g/mol, XLogP of 2.28, 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)-3-methylbutane-1,2-diol is sourced from PubChem (CID 103456487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).