3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole

C23H40N4 — CID 7315584

IUPAC3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)n(Cn2nc(C(C)(C)C)cc2C(C)(C)C)n1
InChIInChI=1S/C23H40N4/c1-20(2,3)16-13-18(22(7,8)9)26(24-16)15-27-19(23(10,11)12)14-17(25-27)21(4,5)6/h13-14H,15H2,1-12H3
InChIKeyHQHXWQBPTFQSNC-UHFFFAOYSA-N
MW372.60 g/mol
LogP5.78
Rot. Bonds2

About 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole

3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole (PubChem CID 7315584) has the molecular formula C23H40N4 and a molecular weight of 372.60 g/mol. Its IUPAC name is 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole
PubChem CID7315584
Molecular FormulaC23H40N4
Molecular Weight372.60 g/mol
Exact Mass372.33
IUPAC Name3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)n(Cn2nc(C(C)(C)C)cc2C(C)(C)C)n1
InChIInChI=1S/C23H40N4/c1-20(2,3)16-13-18(22(7,8)9)26(24-16)15-27-19(23(10,11)12)14-17(25-27)21(4,5)6/h13-14H,15H2,1-12H3
InChIKeyHQHXWQBPTFQSNC-UHFFFAOYSA-N
XLogP5.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole (CID 7315584) is 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole is CC(C)(C)c1cc(C(C)(C)C)n(Cn2nc(C(C)(C)C)cc2C(C)(C)C)n1.
What is the InChIKey of 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is HQHXWQBPTFQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4/c1-20(2,3)16-13-18(22(7,8)9)26(24-16)15-27-19(23(10,11)12)14-17(25-27)21(4,5)6/h13-14H,15H2,1-12H3.
What are the key properties of 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole?
3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 372.60 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 7315584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).