1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol

C9H15BrN2O2 — CID 103448738

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1c(Br)cnn1C
InChIInChI=1S/C9H15BrN2O2/c1-4-9(2,14)8(13)7-6(10)5-11-12(7)3/h5,8,13-14H,4H2,1-3H3
InChIKeyHLNREHSZFMFZGC-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.38
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol

1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol (PubChem CID 103448738) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
PubChem CID103448738
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1c(Br)cnn1C
InChIInChI=1S/C9H15BrN2O2/c1-4-9(2,14)8(13)7-6(10)5-11-12(7)3/h5,8,13-14H,4H2,1-3H3
InChIKeyHLNREHSZFMFZGC-UHFFFAOYSA-N
XLogP1.38
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 130527392
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)but-2-yn-1-ol
CID 130586642
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114661565
1-(4-bromo-1-methylpyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638589
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol (CID 103448738) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol?
The InChIKey is HLNREHSZFMFZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-4-9(2,14)8(13)7-6(10)5-11-12(7)3/h5,8,13-14H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol has a molecular weight of 263.13 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 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-methylbutane-1,2-diol is sourced from PubChem (CID 103448738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).