1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C34H45F4N11O — CID 157231932

IUPAC1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCn1cc(C)cn1.Cc1cc(C)c(F)cn1.Cc1ccon1.Cc1cnn(C)c1.Cc1cnn(CC#N)c1.Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C7H8FN.C6H7F3N2.C6H7N3.C6H10N2.C5H8N2.C4H5NO/c1-5-3-6(2)9-4-7(5)8;1-5-2-10-11(3-5)4-6(7,8)9;1-6-4-8-9(5-6)3-2-7;1-3-8-5-6(2)4-7-8;1-5-3-6-7(2)4-5;1-4-2-3-6-5-4/h3-4H,1-2H3;2-3H,4H2,1H3;4-5H,3H2,1H3;4-5H,3H2,1-2H3;3-4H,1-2H3;2-3H,1H3
InChIKeyAUEZNZSGENVDBQ-UHFFFAOYSA-N
MW699.80 g/mol
LogP7.23
Rot. Bonds3

About 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 157231932) has the molecular formula C34H45F4N11O and a molecular weight of 699.80 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID157231932
Molecular FormulaC34H45F4N11O
Molecular Weight699.80 g/mol
Exact Mass699.37
IUPAC Name1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCn1cc(C)cn1.Cc1cc(C)c(F)cn1.Cc1ccon1.Cc1cnn(C)c1.Cc1cnn(CC#N)c1.Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C7H8FN.C6H7F3N2.C6H7N3.C6H10N2.C5H8N2.C4H5NO/c1-5-3-6(2)9-4-7(5)8;1-5-2-10-11(3-5)4-6(7,8)9;1-6-4-8-9(5-6)3-2-7;1-3-8-5-6(2)4-7-8;1-5-3-6-7(2)4-5;1-4-2-3-6-5-4/h3-4H,1-2H3;2-3H,4H2,1H3;4-5H,3H2,1H3;4-5H,3H2,1-2H3;3-4H,1-2H3;2-3H,1H3
InChIKeyAUEZNZSGENVDBQ-UHFFFAOYSA-N
XLogP7.23
TPSA133.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.80
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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Related Compounds

1,4-Dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2-methoxy-4-methylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 157689049
3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 158865883
3,4-Difluoro-1-methylpyrrole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;1-methylpyrrole;3-methyl-1,2-thiazole;1,2,4-trimethylpyrrole;1,2,5-trimethylpyrrole
CID 157991513
1-(2,2-Dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
CID 158992557
Ethane;methane;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methylpyridine
CID 160596538

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 157231932) is 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is CCn1cc(C)cn1.Cc1cc(C)c(F)cn1.Cc1ccon1.Cc1cnn(C)c1.Cc1cnn(CC#N)c1.Cc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is AUEZNZSGENVDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.C6H7F3N2.C6H7N3.C6H10N2.C5H8N2.C4H5NO/c1-5-3-6(2)9-4-7(5)8;1-5-2-10-11(3-5)4-6(7,8)9;1-6-4-8-9(5-6)3-2-7;1-3-8-5-6(2)4-7-8;1-5-3-6-7(2)4-5;1-4-2-3-6-5-4/h3-4H,1-2H3;2-3H,4H2,1H3;4-5H,3H2,1H3;4-5H,3H2,1-2H3;3-4H,1-2H3;2-3H,1H3.
What are the key properties of 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 699.80 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 157231932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).