4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide

C15H17BrN4O2 — CID 11581381

IUPAC4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide
SMILESBr.Cc1[nH]n(-c2ncc(-c3ccccc3)[nH]2)c(=O)c1CCO
InChIInChI=1S/C15H16N4O2.BrH/c1-10-12(7-8-20)14(21)19(18-10)15-16-9-13(17-15)11-5-3-2-4-6-11;/h2-6,9,18,20H,7-8H2,1H3,(H,16,17);1H
InChIKeyUQISKRRBSNGABR-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide

4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide (PubChem CID 11581381) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide
PubChem CID11581381
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide
SMILESBr.Cc1[nH]n(-c2ncc(-c3ccccc3)[nH]2)c(=O)c1CCO
InChIInChI=1S/C15H16N4O2.BrH/c1-10-12(7-8-20)14(21)19(18-10)15-16-9-13(17-15)11-5-3-2-4-6-11;/h2-6,9,18,20H,7-8H2,1H3,(H,16,17);1H
InChIKeyUQISKRRBSNGABR-UHFFFAOYSA-N
XLogP1.98
TPSA86.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide?
The IUPAC name of 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide (CID 11581381) is 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide.
What is the SMILES notation for 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide?
The canonical SMILES for 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide is Br.Cc1[nH]n(-c2ncc(-c3ccccc3)[nH]2)c(=O)c1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide?
The InChIKey is UQISKRRBSNGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.BrH/c1-10-12(7-8-20)14(21)19(18-10)15-16-9-13(17-15)11-5-3-2-4-6-11;/h2-6,9,18,20H,7-8H2,1H3,(H,16,17);1H.
What are the key properties of 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide?
4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide has a molecular weight of 365.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-5-methyl-2-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-3-one;hydrobromide is sourced from PubChem (CID 11581381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).