[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol

C11H11BrN2O — CID 50990667

IUPAC[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C11H11BrN2O/c12-11-3-1-9(2-4-11)6-14-7-10(8-15)5-13-14/h1-5,7,15H,6,8H2
InChIKeyJPIBRLGJCCMNHR-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.19
Rot. Bonds3

About [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol

[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 50990667) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol
PubChem CID50990667
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C11H11BrN2O/c12-11-3-1-9(2-4-11)6-14-7-10(8-15)5-13-14/h1-5,7,15H,6,8H2
InChIKeyJPIBRLGJCCMNHR-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol (CID 50990667) is [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol is OCc1cnn(Cc2ccc(Br)cc2)c1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is JPIBRLGJCCMNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-11-3-1-9(2-4-11)6-14-7-10(8-15)5-13-14/h1-5,7,15H,6,8H2.
What are the key properties of [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol?
[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 267.13 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 50990667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).