6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C13H12ClN5O2 — CID 123566804

IUPAC6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC(Oc1nc(Cl)cn2ncc(C#N)c12)C1CNC(=O)C1
InChIInChI=1S/C13H12ClN5O2/c1-7(8-2-11(20)16-4-8)21-13-12-9(3-15)5-17-19(12)6-10(14)18-13/h5-8H,2,4H2,1H3,(H,16,20)
InChIKeyXUAXYBNDAJJPKM-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.16
Rot. Bonds3

About 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 123566804) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID123566804
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC(Oc1nc(Cl)cn2ncc(C#N)c12)C1CNC(=O)C1
InChIInChI=1S/C13H12ClN5O2/c1-7(8-2-11(20)16-4-8)21-13-12-9(3-15)5-17-19(12)6-10(14)18-13/h5-8H,2,4H2,1H3,(H,16,20)
InChIKeyXUAXYBNDAJJPKM-UHFFFAOYSA-N
XLogP1.16
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 144786649
4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one
CID 123477168
(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one
CID 146656572
1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one
CID 158199287
6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921021
(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157445580
(4R)-4-[(1R)-1-[6-(1,3-benzothiazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one
CID 157161740
tert-butyl 4-[2-methoxy-4-[3-methyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]phenyl]piperazine-1-carboxylate
CID 123649724
(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 122497073
(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 134558242
(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 162223737
(4R)-4-[(1R)-1-[6-(6-methoxy-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401297

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 123566804) is 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC(Oc1nc(Cl)cn2ncc(C#N)c12)C1CNC(=O)C1.
What is the InChIKey of 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is XUAXYBNDAJJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-7(8-2-11(20)16-4-8)21-13-12-9(3-15)5-17-19(12)6-10(14)18-13/h5-8H,2,4H2,1H3,(H,16,20).
What are the key properties of 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 305.73 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 123566804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).