[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol

C10H11BrN4O — CID 107373030

IUPAC[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
SMILESCc1nn(-c2cnc(CO)cn2)c(C)c1Br
InChIInChI=1S/C10H11BrN4O/c1-6-10(11)7(2)15(14-6)9-4-12-8(5-16)3-13-9/h3-4,16H,5H2,1-2H3
InChIKeyHFVYLDSTCXVJPL-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.53
Rot. Bonds2

About [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol

[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol (PubChem CID 107373030) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
PubChem CID107373030
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
SMILESCc1nn(-c2cnc(CO)cn2)c(C)c1Br
InChIInChI=1S/C10H11BrN4O/c1-6-10(11)7(2)15(14-6)9-4-12-8(5-16)3-13-9/h3-4,16H,5H2,1-2H3
InChIKeyHFVYLDSTCXVJPL-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol (CID 107373030) is [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol is Cc1nn(-c2cnc(CO)cn2)c(C)c1Br.
What is the InChIKey of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol?
The InChIKey is HFVYLDSTCXVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-6-10(11)7(2)15(14-6)9-4-12-8(5-16)3-13-9/h3-4,16H,5H2,1-2H3.
What are the key properties of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol?
[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol has a molecular weight of 283.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).