ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine

C14H25N3 — CID 171544275

IUPACethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCC.CC.CC(C)c1nn(C)c2ncccc12
InChIInChI=1S/C10H13N3.2C2H6/c1-7(2)9-8-5-4-6-11-10(8)13(3)12-9;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyXRVOCWLUTPTPMW-UHFFFAOYSA-N
MW235.38 g/mol
LogP4.14
Rot. Bonds1

About ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine

ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 171544275) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine
PubChem CID171544275
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Nameethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCC.CC.CC(C)c1nn(C)c2ncccc12
InChIInChI=1S/C10H13N3.2C2H6/c1-7(2)9-8-5-4-6-11-10(8)13(3)12-9;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyXRVOCWLUTPTPMW-UHFFFAOYSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 145029121
1,7-dimethyl-3-propan-2-ylpyrazolo[5,4-c]pyridine
CID 177020673
1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 118500444
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
3-chloro-4-(3-propan-2-ylpyrazolo[5,4-b]pyridin-1-yl)benzamide
CID 141285159
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711
7-ethyl-1-methyl-3-propan-2-ylpyrazolo[5,4-c]pyridine
CID 177020722
5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
CID 162725875
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
CID 164915849
1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84670724
(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84671774
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine (CID 171544275) is ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine is CC.CC.CC(C)c1nn(C)c2ncccc12.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is XRVOCWLUTPTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.2C2H6/c1-7(2)9-8-5-4-6-11-10(8)13(3)12-9;2*1-2/h4-7H,1-3H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine?
ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 235.38 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 171544275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).