3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole

C67H118N16O — CID 158634557

IUPAC3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCCc1cc(CC)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(CO)nn1C(C)C.Cc1cn(C(C)C)nc1C.Cc1cn(C(C)C)nc1C.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C10H18N2.C9H16N2.C8H14N2O.5C8H14N2/c1-5-9-7-10(6-2)12(11-9)8(3)4;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-7(3)4-8(5-11)9-10;2*1-6(2)10-5-7(3)8(4)9-10;3*1-6(2)10-8(4)5-7(3)9-10/h7-8H,5-6H2,1-4H3;6H,1-5H3;4,6,11H,5H2,1-3H3;5*5-6H,1-4H3
InChIKeyHZPNSXLXPAFWSH-UHFFFAOYSA-N
MW1163.79 g/mol
LogP16.65
Rot. Bonds11

About 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole

3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole (PubChem CID 158634557) has the molecular formula C67H118N16O and a molecular weight of 1163.79 g/mol. Its IUPAC name is 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole
PubChem CID158634557
Molecular FormulaC67H118N16O
Molecular Weight1163.79 g/mol
Exact Mass1162.97
IUPAC Name3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCCc1cc(CC)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(CO)nn1C(C)C.Cc1cn(C(C)C)nc1C.Cc1cn(C(C)C)nc1C.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C10H18N2.C9H16N2.C8H14N2O.5C8H14N2/c1-5-9-7-10(6-2)12(11-9)8(3)4;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-7(3)4-8(5-11)9-10;2*1-6(2)10-5-7(3)8(4)9-10;3*1-6(2)10-8(4)5-7(3)9-10/h7-8H,5-6H2,1-4H3;6H,1-5H3;4,6,11H,5H2,1-3H3;5*5-6H,1-4H3
InChIKeyHZPNSXLXPAFWSH-UHFFFAOYSA-N
XLogP16.65
TPSA162.79 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001163.79
LogP ≤ 516.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

3,5-Diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 159748987
5-[Hydroxy-(3-iodo-1-methylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carbonitrile;5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carbonitrile
CID 165023661

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole (CID 158634557) is 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole is CCc1cc(CC)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(CO)nn1C(C)C.Cc1cn(C(C)C)nc1C.Cc1cn(C(C)C)nc1C.Cc1nn(C(C)C)c(C)c1C.
What is the InChIKey of 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The InChIKey is HZPNSXLXPAFWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C8H14N2O.5C8H14N2/c1-5-9-7-10(6-2)12(11-9)8(3)4;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-7(3)4-8(5-11)9-10;2*1-6(2)10-5-7(3)8(4)9-10;3*1-6(2)10-8(4)5-7(3)9-10/h7-8H,5-6H2,1-4H3;6H,1-5H3;4,6,11H,5H2,1-3H3;5*5-6H,1-4H3.
What are the key properties of 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole?
3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole has a molecular weight of 1163.79 g/mol, XLogP of 16.65, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-propan-2-ylpyrazole;bis(3,4-dimethyl-1-propan-2-ylpyrazole);tris(3,5-dimethyl-1-propan-2-ylpyrazole);(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;3,4,5-trimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 158634557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).