5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine

C11H17N3 — CID 135195558

IUPAC5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine
SMILESCC1=CC2C=NN(C(C)C)C2N=C1C
InChIInChI=1S/C11H17N3/c1-7(2)14-11-10(6-12-14)5-8(3)9(4)13-11/h5-7,10-11H,1-4H3
InChIKeyRXZLTCWPFHAUPY-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.06
Rot. Bonds1

About 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine

5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine (PubChem CID 135195558) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine
PubChem CID135195558
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine
SMILESCC1=CC2C=NN(C(C)C)C2N=C1C
InChIInChI=1S/C11H17N3/c1-7(2)14-11-10(6-12-14)5-8(3)9(4)13-11/h5-7,10-11H,1-4H3
InChIKeyRXZLTCWPFHAUPY-UHFFFAOYSA-N
XLogP2.06
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine?
The IUPAC name of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine (CID 135195558) is 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine?
The canonical SMILES for 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine is CC1=CC2C=NN(C(C)C)C2N=C1C.
What is the InChIKey of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine?
The InChIKey is RXZLTCWPFHAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(2)14-11-10(6-12-14)5-8(3)9(4)13-11/h5-7,10-11H,1-4H3.
What are the key properties of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine?
5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine has a molecular weight of 191.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135195558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).