3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine

C15H23N3 — CID 167379586

IUPAC3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine
SMILESCc1c(C(C)(C)C)ncc2c(C(C)(C)C)[nH]nc12
InChIInChI=1S/C15H23N3/c1-9-11-10(8-16-12(9)14(2,3)4)13(18-17-11)15(5,6)7/h8H,1-7H3,(H,17,18)
InChIKeyOXXDLZAKMPCMEU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.86
Rot. Bonds

About 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine

3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 167379586) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine
PubChem CID167379586
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine
SMILESCc1c(C(C)(C)C)ncc2c(C(C)(C)C)[nH]nc12
InChIInChI=1S/C15H23N3/c1-9-11-10(8-16-12(9)14(2,3)4)13(18-17-11)15(5,6)7/h8H,1-7H3,(H,17,18)
InChIKeyOXXDLZAKMPCMEU-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine (CID 167379586) is 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine is Cc1c(C(C)(C)C)ncc2c(C(C)(C)C)[nH]nc12.
What is the InChIKey of 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is OXXDLZAKMPCMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9-11-10(8-16-12(9)14(2,3)4)13(18-17-11)15(5,6)7/h8H,1-7H3,(H,17,18).
What are the key properties of 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine?
3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 245.37 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167379586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).