(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol

C11H15BrN2O — CID 114635530

IUPAC(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
SMILESCn1ncc(Br)c1C(O)C1CC=CCC1
InChIInChI=1S/C11H15BrN2O/c1-14-10(9(12)7-13-14)11(15)8-5-3-2-4-6-8/h2-3,7-8,11,15H,4-6H2,1H3
InChIKeyUOATYUBJALRKHO-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.57
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol

(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol (PubChem CID 114635530) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
PubChem CID114635530
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
SMILESCn1ncc(Br)c1C(O)C1CC=CCC1
InChIInChI=1S/C11H15BrN2O/c1-14-10(9(12)7-13-14)11(15)8-5-3-2-4-6-8/h2-3,7-8,11,15H,4-6H2,1H3
InChIKeyUOATYUBJALRKHO-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol 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

(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanol
CID 114645036
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114644712
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 115839213
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)but-2-yn-1-ol
CID 130586642
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol (CID 114635530) is (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol is Cn1ncc(Br)c1C(O)C1CC=CCC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol?
The InChIKey is UOATYUBJALRKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14-10(9(12)7-13-14)11(15)8-5-3-2-4-6-8/h2-3,7-8,11,15H,4-6H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol?
(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol has a molecular weight of 271.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 114635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).