2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine

C12H19N5 — CID 90976922

IUPAC2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCN(C)CCCNc1nn2ccccc2c1N
InChIInChI=1S/C12H19N5/c1-16(2)8-5-7-14-12-11(13)10-6-3-4-9-17(10)15-12/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,14,15)
InChIKeyBTUPZBXCRGXVGS-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.28
Rot. Bonds5

About 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine

2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 90976922) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID90976922
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCN(C)CCCNc1nn2ccccc2c1N
InChIInChI=1S/C12H19N5/c1-16(2)8-5-7-14-12-11(13)10-6-3-4-9-17(10)15-12/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,14,15)
InChIKeyBTUPZBXCRGXVGS-UHFFFAOYSA-N
XLogP1.28
TPSA58.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine (CID 90976922) is 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine is CN(C)CCCNc1nn2ccccc2c1N.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is BTUPZBXCRGXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16(2)8-5-7-14-12-11(13)10-6-3-4-9-17(10)15-12/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 90976922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).