1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine

C12H21N3 — CID 58110724

IUPAC1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
SMILESCC(C)N1CCCc2c1cnn2C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)14-7-5-6-11-12(14)8-13-15(11)10(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXAKMWWCPICHIGY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds2

About 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine

1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine (PubChem CID 58110724) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
PubChem CID58110724
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
SMILESCC(C)N1CCCc2c1cnn2C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)14-7-5-6-11-12(14)8-13-15(11)10(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXAKMWWCPICHIGY-UHFFFAOYSA-N
XLogP2.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
The IUPAC name of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine (CID 58110724) is 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine is CC(C)N1CCCc2c1cnn2C(C)C.
What is the InChIKey of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
The InChIKey is XAKMWWCPICHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)14-7-5-6-11-12(14)8-13-15(11)10(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 58110724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).