1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol

C16H18N4O — CID 135387322

IUPAC1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C16H18N4O/c1-12(21)16-17-8-9-20(16)11-14-10-15(19(2)18-14)13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3
InChIKeyPLFGVFOJNIEJEJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.39
Rot. Bonds4

About 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol

1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol (PubChem CID 135387322) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol
PubChem CID135387322
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C16H18N4O/c1-12(21)16-17-8-9-20(16)11-14-10-15(19(2)18-14)13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3
InChIKeyPLFGVFOJNIEJEJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol (CID 135387322) is 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol is CC(O)c1nccn1Cc1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol?
The InChIKey is PLFGVFOJNIEJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(21)16-17-8-9-20(16)11-14-10-15(19(2)18-14)13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol?
1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 135387322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).