formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole

C18H20N4O3 — CID 163333896

IUPACformic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
SMILESO=CO.c1cc(Cn2cccn2)cc(-c2nccn2C2CCOC2)c1
InChIInChI=1S/C17H18N4O.CH2O2/c1-3-14(12-20-8-2-6-19-20)11-15(4-1)17-18-7-9-21(17)16-5-10-22-13-16;2-1-3/h1-4,6-9,11,16H,5,10,12-13H2;1H,(H,2,3)
InChIKeyJRZZRALJABUYSV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.46
Rot. Bonds4

About formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole

formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole (PubChem CID 163333896) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole.

Molecular Properties

Compound Nameformic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
PubChem CID163333896
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameformic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
SMILESO=CO.c1cc(Cn2cccn2)cc(-c2nccn2C2CCOC2)c1
InChIInChI=1S/C17H18N4O.CH2O2/c1-3-14(12-20-8-2-6-19-20)11-15(4-1)17-18-7-9-21(17)16-5-10-22-13-16;2-1-3/h1-4,6-9,11,16H,5,10,12-13H2;1H,(H,2,3)
InChIKeyJRZZRALJABUYSV-UHFFFAOYSA-N
XLogP2.46
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole?
The IUPAC name of formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole (CID 163333896) is formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole.
What is the SMILES notation for formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole?
The canonical SMILES for formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole is O=CO.c1cc(Cn2cccn2)cc(-c2nccn2C2CCOC2)c1.
What is the InChIKey of formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole?
The InChIKey is JRZZRALJABUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.CH2O2/c1-3-14(12-20-8-2-6-19-20)11-15(4-1)17-18-7-9-21(17)16-5-10-22-13-16;2-1-3/h1-4,6-9,11,16H,5,10,12-13H2;1H,(H,2,3).
What are the key properties of formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole?
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole has a molecular weight of 340.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole is sourced from PubChem (CID 163333896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).