[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol

C10H8Br2N2O — CID 77174643

IUPAC[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccccc2Br)c1Br
InChIInChI=1S/C10H8Br2N2O/c11-8-3-1-2-4-9(8)14-10(12)7(6-15)5-13-14/h1-5,15H,6H2
InChIKeyVYCJRYJBNACGJM-UHFFFAOYSA-N
MW332.00 g/mol
LogP2.89
Rot. Bonds2

About [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol

[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol (PubChem CID 77174643) has the molecular formula C10H8Br2N2O and a molecular weight of 332.00 g/mol. Its IUPAC name is [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
PubChem CID77174643
Molecular FormulaC10H8Br2N2O
Molecular Weight332.00 g/mol
Exact Mass329.90
IUPAC Name[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccccc2Br)c1Br
InChIInChI=1S/C10H8Br2N2O/c11-8-3-1-2-4-9(8)14-10(12)7(6-15)5-13-14/h1-5,15H,6H2
InChIKeyVYCJRYJBNACGJM-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol (CID 77174643) is [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccccc2Br)c1Br.
What is the InChIKey of [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol?
The InChIKey is VYCJRYJBNACGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O/c11-8-3-1-2-4-9(8)14-10(12)7(6-15)5-13-14/h1-5,15H,6H2.
What are the key properties of [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol?
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol has a molecular weight of 332.00 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 77174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).