3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole

C13H15FN2O2 — CID 58694831

IUPAC3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole
SMILESCOC(OC)c1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H15FN2O2/c1-16-12(9-4-6-10(14)7-5-9)8-11(15-16)13(17-2)18-3/h4-8,13H,1-3H3
InChIKeyVLTVZVUZYVDCGX-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.52
Rot. Bonds4

About 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole

3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole (PubChem CID 58694831) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole
PubChem CID58694831
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole
SMILESCOC(OC)c1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H15FN2O2/c1-16-12(9-4-6-10(14)7-5-9)8-11(15-16)13(17-2)18-3/h4-8,13H,1-3H3
InChIKeyVLTVZVUZYVDCGX-UHFFFAOYSA-N
XLogP2.52
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Cizolirtine
CID 132412
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
4-(4-Tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
CID 56965285
Cizolirtine, (+)-
CID 3037765
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
5-(1,4-Dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
CID 155510464
5-(1,4-Dioxaspiro[4.4]nonan-3-yl)-1-methyl-3-phenylpyrazole
CID 155532952
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
CID 155550795
Het-DPD-13a
CID 155557363
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole
CID 155558624
1-Methyl-3-phenyl-5-(1,4,8-trioxaspiro[4.5]decan-3-yl)pyrazole
CID 155565306
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole (CID 58694831) is 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole is COC(OC)c1cc(-c2ccc(F)cc2)n(C)n1.
What is the InChIKey of 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole?
The InChIKey is VLTVZVUZYVDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16-12(9-4-6-10(14)7-5-9)8-11(15-16)13(17-2)18-3/h4-8,13H,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole?
3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole has a molecular weight of 250.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-5-(4-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 58694831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).