3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H29N3 — CID 82587007

IUPAC3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)c1ccc(-n2nc(C(C)(C)C)c3c2CCNC3)cc1
InChIInChI=1S/C20H29N3/c1-19(2,3)14-7-9-15(10-8-14)23-17-11-12-21-13-16(17)18(22-23)20(4,5)6/h7-10,21H,11-13H2,1-6H3
InChIKeyCQLLKZSZOYYUNB-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.11
Rot. Bonds1

About 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587007) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587007
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)c1ccc(-n2nc(C(C)(C)C)c3c2CCNC3)cc1
InChIInChI=1S/C20H29N3/c1-19(2,3)14-7-9-15(10-8-14)23-17-11-12-21-13-16(17)18(22-23)20(4,5)6/h7-10,21H,11-13H2,1-6H3
InChIKeyCQLLKZSZOYYUNB-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587007) is 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)(C)c1ccc(-n2nc(C(C)(C)C)c3c2CCNC3)cc1.
What is the InChIKey of 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CQLLKZSZOYYUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-19(2,3)14-7-9-15(10-8-14)23-17-11-12-21-13-16(17)18(22-23)20(4,5)6/h7-10,21H,11-13H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 311.47 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).