[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol

C11H11BrN2O — CID 18613291

IUPAC[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1ncc(CO)c1-c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-14-11(9(7-15)6-13-14)8-3-2-4-10(12)5-8/h2-6,15H,7H2,1H3
InChIKeyGZJOJIIWQFNEAY-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.34
Rot. Bonds2

About [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol

[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol (PubChem CID 18613291) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol
PubChem CID18613291
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1ncc(CO)c1-c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-14-11(9(7-15)6-13-14)8-3-2-4-10(12)5-8/h2-6,15H,7H2,1H3
InChIKeyGZJOJIIWQFNEAY-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3-bromophenyl)-1-methylpyrazol-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

Related Compounds

3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-methanol
CID 740185
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethanol
CID 2950529
(1-Benzyl-5-methyl-1h-pyrazol-4-yl)methanol
CID 66437900
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile
CID 2068133
2-(3-Bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 75437757
(3-(4-Bromophenyl)-1-(2-methylphenyl)-1H-pyrazol-4-YL)methanol
CID 3578575
(3-(4-Bromophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-YL)methanol
CID 4995785
(1-Methyl-3-phenyl-1H-pyrazol-4-YL)methanol
CID 40427074
{1-[(4-bromophenyl)methyl]-1H-pyrazol-4-yl}methanol
CID 50990667
3-[4-(Hydroxymethyl)-3-phenylpyrazolyl]propanenitrile
CID 2876459
2-[(3-Bromophenyl)methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 121537769

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol (CID 18613291) is [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol is Cn1ncc(CO)c1-c1cccc(Br)c1.
What is the InChIKey of [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol?
The InChIKey is GZJOJIIWQFNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-11(9(7-15)6-13-14)8-3-2-4-10(12)5-8/h2-6,15H,7H2,1H3.
What are the key properties of [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol?
[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol has a molecular weight of 267.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 18613291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).