3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile

C17H19ClN6O — CID 166864274

IUPAC3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile
SMILESCCC(CC#N)(CCOC)n1cc(-c2nc(Cl)cn3nccc23)cn1
InChIInChI=1S/C17H19ClN6O/c1-3-17(5-7-19,6-9-25-2)24-11-13(10-21-24)16-14-4-8-20-23(14)12-15(18)22-16/h4,8,10-12H,3,5-6,9H2,1-2H3
InChIKeyILKVSKCWDXAHCE-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.30
Rot. Bonds7

About 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile

3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile (PubChem CID 166864274) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile.

Molecular Properties

Compound Name3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile
PubChem CID166864274
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile
SMILESCCC(CC#N)(CCOC)n1cc(-c2nc(Cl)cn3nccc23)cn1
InChIInChI=1S/C17H19ClN6O/c1-3-17(5-7-19,6-9-25-2)24-11-13(10-21-24)16-14-4-8-20-23(14)12-15(18)22-16/h4,8,10-12H,3,5-6,9H2,1-2H3
InChIKeyILKVSKCWDXAHCE-UHFFFAOYSA-N
XLogP3.30
TPSA81.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile?
The IUPAC name of 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile (CID 166864274) is 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile.
What is the SMILES notation for 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile?
The canonical SMILES for 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile is CCC(CC#N)(CCOC)n1cc(-c2nc(Cl)cn3nccc23)cn1.
What is the InChIKey of 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile?
The InChIKey is ILKVSKCWDXAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-3-17(5-7-19,6-9-25-2)24-11-13(10-21-24)16-14-4-8-20-23(14)12-15(18)22-16/h4,8,10-12H,3,5-6,9H2,1-2H3.
What are the key properties of 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile?
3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile has a molecular weight of 358.83 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]-3-ethyl-5-methoxypentanenitrile is sourced from PubChem (CID 166864274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).