3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole

C17H19FN4O2 — CID 141365181

IUPAC3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole
SMILESCOCCOCc1cc(-c2cc(-n3ccnc3)c(C)cc2F)n[nH]1
InChIInChI=1S/C17H19FN4O2/c1-12-7-15(18)14(9-17(12)22-4-3-19-11-22)16-8-13(20-21-16)10-24-6-5-23-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,21)
InChIKeyKSNLUQTTWXTYIC-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.87
Rot. Bonds7

About 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole

3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole (PubChem CID 141365181) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole
PubChem CID141365181
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole
SMILESCOCCOCc1cc(-c2cc(-n3ccnc3)c(C)cc2F)n[nH]1
InChIInChI=1S/C17H19FN4O2/c1-12-7-15(18)14(9-17(12)22-4-3-19-11-22)16-8-13(20-21-16)10-24-6-5-23-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,21)
InChIKeyKSNLUQTTWXTYIC-UHFFFAOYSA-N
XLogP2.87
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole?
The IUPAC name of 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole (CID 141365181) is 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole?
The canonical SMILES for 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole is COCCOCc1cc(-c2cc(-n3ccnc3)c(C)cc2F)n[nH]1.
What is the InChIKey of 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole?
The InChIKey is KSNLUQTTWXTYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-7-15(18)14(9-17(12)22-4-3-19-11-22)16-8-13(20-21-16)10-24-6-5-23-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole?
3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole has a molecular weight of 330.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 141365181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).