2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine

C8H11N3 — CID 90364024

IUPAC2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
SMILESCC1C=Nc2nn(C)cc2C1
InChIInChI=1S/C8H11N3/c1-6-3-7-5-11(2)10-8(7)9-4-6/h4-6H,3H2,1-2H3
InChIKeyKYKCFGXCNYZDTF-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.31
Rot. Bonds

About 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine

2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine (PubChem CID 90364024) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
PubChem CID90364024
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
SMILESCC1C=Nc2nn(C)cc2C1
InChIInChI=1S/C8H11N3/c1-6-3-7-5-11(2)10-8(7)9-4-6/h4-6H,3H2,1-2H3
InChIKeyKYKCFGXCNYZDTF-UHFFFAOYSA-N
XLogP1.31
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine?
The IUPAC name of 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine (CID 90364024) is 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine?
The canonical SMILES for 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine is CC1C=Nc2nn(C)cc2C1.
What is the InChIKey of 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine?
The InChIKey is KYKCFGXCNYZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-7-5-11(2)10-8(7)9-4-6/h4-6H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine?
2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine has a molecular weight of 149.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90364024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).