ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine

C11H17N3 — CID 162761081

IUPACethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
SMILESCC.CCn1ncc2c(C)ccnc21
InChIInChI=1S/C9H11N3.C2H6/c1-3-12-9-8(6-11-12)7(2)4-5-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyFLDGCTKHPUZSAS-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.79
Rot. Bonds1

About ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine

ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine (PubChem CID 162761081) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
PubChem CID162761081
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Nameethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
SMILESCC.CCn1ncc2c(C)ccnc21
InChIInChI=1S/C9H11N3.C2H6/c1-3-12-9-8(6-11-12)7(2)4-5-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyFLDGCTKHPUZSAS-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
CID 89190838
4-chloro-1-ethylpyrazolo[3,4-b]pyridine;N-propylformamide
CID 87653399
1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 69065838
1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 58629427
1-ethyl-4-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 130494011
1-ethyl-4-propan-2-ylpyrazolo[4,5-c]pyridine
CID 165134189
ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine
CID 70427626
1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
CID 112580883
N,1-diethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726603
ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydron;chloride
CID 91980760

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine (CID 162761081) is ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine is CC.CCn1ncc2c(C)ccnc21.
What is the InChIKey of ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine?
The InChIKey is FLDGCTKHPUZSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-3-12-9-8(6-11-12)7(2)4-5-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine?
ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine has a molecular weight of 191.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162761081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).