2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol

C13H17BrN4O — CID 66140648

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol
SMILESCc1nn(C)c(CC(O)c2cncn2C2CC2)c1Br
InChIInChI=1S/C13H17BrN4O/c1-8-13(14)10(17(2)16-8)5-12(19)11-6-15-7-18(11)9-3-4-9/h6-7,9,12,19H,3-5H2,1-2H3
InChIKeyFJCKZYAMQXKVPC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol (PubChem CID 66140648) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol
PubChem CID66140648
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol
SMILESCc1nn(C)c(CC(O)c2cncn2C2CC2)c1Br
InChIInChI=1S/C13H17BrN4O/c1-8-13(14)10(17(2)16-8)5-12(19)11-6-15-7-18(11)9-3-4-9/h6-7,9,12,19H,3-5H2,1-2H3
InChIKeyFJCKZYAMQXKVPC-UHFFFAOYSA-N
XLogP2.30
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol 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 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol (CID 66140648) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol is Cc1nn(C)c(CC(O)c2cncn2C2CC2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol?
The InChIKey is FJCKZYAMQXKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-8-13(14)10(17(2)16-8)5-12(19)11-6-15-7-18(11)9-3-4-9/h6-7,9,12,19H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol is sourced from PubChem (CID 66140648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).