1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine

C89H162N16 — CID 157329587

IUPAC1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1ncccn1.CC(C)n1cccn1.c1ccncc1
InChIInChI=1S/2C10H17N.3C9H16N2.C8H15N3.C7H10N2.C6H10N2.C5H5N.4C4H10/c1-7(2)9-5-10(8(3)4)11-6-9;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;4*1-4(2)3/h5,7-8H,6H2,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;1-5H;4*4H,1-3H3
InChIKeyBFDAGJNKSKXOLW-UHFFFAOYSA-N
MW1456.39 g/mol
LogP26.41
Rot. Bonds14

About 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine

1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine (PubChem CID 157329587) has the molecular formula C89H162N16 and a molecular weight of 1456.39 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine
PubChem CID157329587
Molecular FormulaC89H162N16
Molecular Weight1456.39 g/mol
Exact Mass1455.32
IUPAC Name1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1ncccn1.CC(C)n1cccn1.c1ccncc1
InChIInChI=1S/2C10H17N.3C9H16N2.C8H15N3.C7H10N2.C6H10N2.C5H5N.4C4H10/c1-7(2)9-5-10(8(3)4)11-6-9;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;4*1-4(2)3/h5,7-8H,6H2,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;1-5H;4*4H,1-3H3
InChIKeyBFDAGJNKSKXOLW-UHFFFAOYSA-N
XLogP26.41
TPSA157.95 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001456.39
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine (CID 157329587) is 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1ncccn1.CC(C)n1cccn1.c1ccncc1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine?
The InChIKey is BFDAGJNKSKXOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.3C9H16N2.C8H15N3.C7H10N2.C6H10N2.C5H5N.4C4H10/c1-7(2)9-5-10(8(3)4)11-6-9;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;4*1-4(2)3/h5,7-8H,6H2,1-4H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;1-5H;4*4H,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine?
1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine has a molecular weight of 1456.39 g/mol, XLogP of 26.41, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine is sourced from PubChem (CID 157329587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).