(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol

C11H19BrN4O — CID 114644712

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
SMILESCN1CCN(C)C(C(O)c2c(Br)cnn2C)C1
InChIInChI=1S/C11H19BrN4O/c1-14-4-5-15(2)9(7-14)11(17)10-8(12)6-13-16(10)3/h6,9,11,17H,4-5,7H2,1-3H3
InChIKeyWRPPDDQTVBNAIN-UHFFFAOYSA-N
MW303.20 g/mol
LogP0.46
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol (PubChem CID 114644712) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
PubChem CID114644712
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
SMILESCN1CCN(C)C(C(O)c2c(Br)cnn2C)C1
InChIInChI=1S/C11H19BrN4O/c1-14-4-5-15(2)9(7-14)11(17)10-8(12)6-13-16(10)3/h6,9,11,17H,4-5,7H2,1-3H3
InChIKeyWRPPDDQTVBNAIN-UHFFFAOYSA-N
XLogP0.46
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-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

N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol
CID 114644706
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
CID 114635530
(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanol
CID 114645036
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008349

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol (CID 114644712) is (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol is CN1CCN(C)C(C(O)c2c(Br)cnn2C)C1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
The InChIKey is WRPPDDQTVBNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-14-4-5-15(2)9(7-14)11(17)10-8(12)6-13-16(10)3/h6,9,11,17H,4-5,7H2,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol has a molecular weight of 303.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol is sourced from PubChem (CID 114644712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).