2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate

C16H19N5O2 — CID 75441860

IUPAC2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCc1cc(C)n(CCOC(=O)c2ccc3c(C)nn(C)c3n2)n1
InChIInChI=1S/C16H19N5O2/c1-10-9-11(2)21(18-10)7-8-23-16(22)14-6-5-13-12(3)19-20(4)15(13)17-14/h5-6,9H,7-8H2,1-4H3
InChIKeyMMEFKUSHNTUNAF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.95
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate

2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 75441860) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID75441860
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCc1cc(C)n(CCOC(=O)c2ccc3c(C)nn(C)c3n2)n1
InChIInChI=1S/C16H19N5O2/c1-10-9-11(2)21(18-10)7-8-23-16(22)14-6-5-13-12(3)19-20(4)15(13)17-14/h5-6,9H,7-8H2,1-4H3
InChIKeyMMEFKUSHNTUNAF-UHFFFAOYSA-N
XLogP1.95
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 75441860) is 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate is Cc1cc(C)n(CCOC(=O)c2ccc3c(C)nn(C)c3n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is MMEFKUSHNTUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-9-11(2)21(18-10)7-8-23-16(22)14-6-5-13-12(3)19-20(4)15(13)17-14/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate?
2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 75441860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).