methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole

C51H65N5O2 — CID 158438162

IUPACmethane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole
SMILESC.CC(=O)N(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccn(C)n2)c1
InChIInChI=1S/C13H16N2.C13H14O.C12H14N2.C12H17NO.CH4/c1-10(2)11-5-4-6-12(9-11)13-7-8-15(3)14-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)11-5-7-12(8-6-11)13(4)10(3)14;/h4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;1H4
InChIKeyHCMGVYOAOFWBBS-UHFFFAOYSA-N
MW780.11 g/mol
LogP13.70
Rot. Bonds8

About methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole

methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole (PubChem CID 158438162) has the molecular formula C51H65N5O2 and a molecular weight of 780.11 g/mol. Its IUPAC name is methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Namemethane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole
PubChem CID158438162
Molecular FormulaC51H65N5O2
Molecular Weight780.11 g/mol
Exact Mass779.51
IUPAC Namemethane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole
SMILESC.CC(=O)N(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccn(C)n2)c1
InChIInChI=1S/C13H16N2.C13H14O.C12H14N2.C12H17NO.CH4/c1-10(2)11-5-4-6-12(9-11)13-7-8-15(3)14-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)11-5-7-12(8-6-11)13(4)10(3)14;/h4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;1H4
InChIKeyHCMGVYOAOFWBBS-UHFFFAOYSA-N
XLogP13.70
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.11
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole?
The IUPAC name of methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole (CID 158438162) is methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole?
The canonical SMILES for methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole is C.CC(=O)N(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccn(C)n2)c1.
What is the InChIKey of methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole?
The InChIKey is HCMGVYOAOFWBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H14O.C12H14N2.C12H17NO.CH4/c1-10(2)11-5-4-6-12(9-11)13-7-8-15(3)14-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)11-5-7-12(8-6-11)13(4)10(3)14;/h4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;1H4.
What are the key properties of methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole?
methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole has a molecular weight of 780.11 g/mol, XLogP of 13.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 158438162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).