[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol

C11H11BrN2O2 — CID 138506131

IUPAC[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(CO)c(Br)n2)cc1
InChIInChI=1S/C11H11BrN2O2/c1-16-10-4-2-9(3-5-10)14-6-8(7-15)11(12)13-14/h2-6,15H,7H2,1H3
InChIKeyVHKMCPGADXRVHG-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.14
Rot. Bonds3

About [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol

[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol (PubChem CID 138506131) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
PubChem CID138506131
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(CO)c(Br)n2)cc1
InChIInChI=1S/C11H11BrN2O2/c1-16-10-4-2-9(3-5-10)14-6-8(7-15)11(12)13-14/h2-6,15H,7H2,1H3
InChIKeyVHKMCPGADXRVHG-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol (CID 138506131) is [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol is COc1ccc(-n2cc(CO)c(Br)n2)cc1.
What is the InChIKey of [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The InChIKey is VHKMCPGADXRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-16-10-4-2-9(3-5-10)14-6-8(7-15)11(12)13-14/h2-6,15H,7H2,1H3.
What are the key properties of [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol?
[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol has a molecular weight of 283.12 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 138506131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).