3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine

C18H21N3 — CID 17038753

IUPAC3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C(C)(C)C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C18H21N3/c1-12-11-13(2)19-17-15(12)16(18(3,4)5)20-21(17)14-9-7-6-8-10-14/h6-11H,1-5H3
InChIKeyJMBLCWHIMMLNSH-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.33
Rot. Bonds1

About 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine

3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 17038753) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID17038753
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C(C)(C)C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C18H21N3/c1-12-11-13(2)19-17-15(12)16(18(3,4)5)20-21(17)14-9-7-6-8-10-14/h6-11H,1-5H3
InChIKeyJMBLCWHIMMLNSH-UHFFFAOYSA-N
XLogP4.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine (CID 17038753) is 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine is Cc1cc(C)c2c(C(C)(C)C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is JMBLCWHIMMLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-11-13(2)19-17-15(12)16(18(3,4)5)20-21(17)14-9-7-6-8-10-14/h6-11H,1-5H3.
What are the key properties of 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 279.39 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17038753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).