1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile

C15H17N5 — CID 166248443

IUPAC1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2nccn3nc(C4CCC4)cc23)C1
InChIInChI=1S/C15H17N5/c16-9-11-4-6-19(10-11)15-14-8-13(12-2-1-3-12)18-20(14)7-5-17-15/h5,7-8,11-12H,1-4,6,10H2
InChIKeyDADNKXDFHLSAQP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.35
Rot. Bonds2

About 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile

1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile (PubChem CID 166248443) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile
PubChem CID166248443
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2nccn3nc(C4CCC4)cc23)C1
InChIInChI=1S/C15H17N5/c16-9-11-4-6-19(10-11)15-14-8-13(12-2-1-3-12)18-20(14)7-5-17-15/h5,7-8,11-12H,1-4,6,10H2
InChIKeyDADNKXDFHLSAQP-UHFFFAOYSA-N
XLogP2.35
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile (CID 166248443) is 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile is N#CC1CCN(c2nccn3nc(C4CCC4)cc23)C1.
What is the InChIKey of 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile?
The InChIKey is DADNKXDFHLSAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-9-11-4-6-19(10-11)15-14-8-13(12-2-1-3-12)18-20(14)7-5-17-15/h5,7-8,11-12H,1-4,6,10H2.
What are the key properties of 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile?
1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 166248443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).