5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine

C17H19N5 — CID 136636136

IUPAC5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine
SMILESCCn1nc(-c2cn[nH]c2)c2cc(C3=CCCCC3)cnc21
InChIInChI=1S/C17H19N5/c1-2-22-17-15(16(21-22)14-10-19-20-11-14)8-13(9-18-17)12-6-4-3-5-7-12/h6,8-11H,2-5,7H2,1H3,(H,19,20)
InChIKeyLMPVOKCEMQFVED-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.80
Rot. Bonds3

About 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine

5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine (PubChem CID 136636136) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine
PubChem CID136636136
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine
SMILESCCn1nc(-c2cn[nH]c2)c2cc(C3=CCCCC3)cnc21
InChIInChI=1S/C17H19N5/c1-2-22-17-15(16(21-22)14-10-19-20-11-14)8-13(9-18-17)12-6-4-3-5-7-12/h6,8-11H,2-5,7H2,1H3,(H,19,20)
InChIKeyLMPVOKCEMQFVED-UHFFFAOYSA-N
XLogP3.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine (CID 136636136) is 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine is CCn1nc(-c2cn[nH]c2)c2cc(C3=CCCCC3)cnc21.
What is the InChIKey of 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is LMPVOKCEMQFVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-22-17-15(16(21-22)14-10-19-20-11-14)8-13(9-18-17)12-6-4-3-5-7-12/h6,8-11H,2-5,7H2,1H3,(H,19,20).
What are the key properties of 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine?
5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1-ethyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 136636136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).