1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine

C66H83F5N16O — CID 160727120

IUPAC1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESC=C1C=CC(n2ccc(C(C)C)n2)=CN1C(F)F.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccn(-c2cccnc2)n1.Cc1cc(-n2ccc(C(C)C)n2)cnn1.Cc1cc(-n2ccc(C(C)C)n2)cnn1
InChIInChI=1S/C13H15F2N3.2C11H14N4.C11H13N3.C11H17NO.C9H10F3N/c1-9(2)12-6-7-18(16-12)11-5-4-10(3)17(8-11)13(14)15;2*1-8(2)11-4-5-15(14-11)10-6-9(3)13-12-7-10;1-9(2)11-5-7-14(13-11)10-4-3-6-12-8-10;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-6(2)7-4-3-5-8(13-7)9(10,11)12/h4-9,13H,3H2,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3;5-8,13H,1-4H3;3-6H,1-2H3
InChIKeyRTVWACWZUPCYDG-UHFFFAOYSA-N
MW1211.49 g/mol
LogP15.65
Rot. Bonds12

About 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine

1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 160727120) has the molecular formula C66H83F5N16O and a molecular weight of 1211.49 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID160727120
Molecular FormulaC66H83F5N16O
Molecular Weight1211.49 g/mol
Exact Mass1210.69
IUPAC Name1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESC=C1C=CC(n2ccc(C(C)C)n2)=CN1C(F)F.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccn(-c2cccnc2)n1.Cc1cc(-n2ccc(C(C)C)n2)cnn1.Cc1cc(-n2ccc(C(C)C)n2)cnn1
InChIInChI=1S/C13H15F2N3.2C11H14N4.C11H13N3.C11H17NO.C9H10F3N/c1-9(2)12-6-7-18(16-12)11-5-4-10(3)17(8-11)13(14)15;2*1-8(2)11-4-5-15(14-11)10-6-9(3)13-12-7-10;1-9(2)11-5-7-14(13-11)10-4-3-6-12-8-10;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-6(2)7-4-3-5-8(13-7)9(10,11)12/h4-9,13H,3H2,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3;5-8,13H,1-4H3;3-6H,1-2H3
InChIKeyRTVWACWZUPCYDG-UHFFFAOYSA-N
XLogP15.65
TPSA184.98 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.49
LogP ≤ 515.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[3-(1,4-Dimethylpyrazol-5-yl)-5-(4,4,4-trifluoro-1-pyridin-2-ylbutyl)pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 161758820
4-[1-[4-Fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;ZINC
CID 163867437
2-[4-[5-[1-(1-Propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
CID 118536290

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 160727120) is 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine is C=C1C=CC(n2ccc(C(C)C)n2)=CN1C(F)F.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccn(-c2cccnc2)n1.Cc1cc(-n2ccc(C(C)C)n2)cnn1.Cc1cc(-n2ccc(C(C)C)n2)cnn1.
What is the InChIKey of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is RTVWACWZUPCYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3.2C11H14N4.C11H13N3.C11H17NO.C9H10F3N/c1-9(2)12-6-7-18(16-12)11-5-4-10(3)17(8-11)13(14)15;2*1-8(2)11-4-5-15(14-11)10-6-9(3)13-12-7-10;1-9(2)11-5-7-14(13-11)10-4-3-6-12-8-10;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-6(2)7-4-3-5-8(13-7)9(10,11)12/h4-9,13H,3H2,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3;5-8,13H,1-4H3;3-6H,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine?
1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 1211.49 g/mol, XLogP of 15.65, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 160727120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).