[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C15H18N8O — CID 167758506

IUPAC[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1n1ccnn1
InChIInChI=1S/C15H18N8O/c1-20(2)13-9-21(10-14(13)23-6-4-17-19-23)15(24)11-7-18-22-5-3-16-8-12(11)22/h3-8,13-14H,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyWWCGXALMLHFJKI-KGLIPLIRSA-N
MW326.36 g/mol
LogP-0.05
Rot. Bonds3

About [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 167758506) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID167758506
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1n1ccnn1
InChIInChI=1S/C15H18N8O/c1-20(2)13-9-21(10-14(13)23-6-4-17-19-23)15(24)11-7-18-22-5-3-16-8-12(11)22/h3-8,13-14H,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyWWCGXALMLHFJKI-KGLIPLIRSA-N
XLogP-0.05
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 167758506) is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone is CN(C)[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1n1ccnn1.
What is the InChIKey of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is WWCGXALMLHFJKI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H18N8O/c1-20(2)13-9-21(10-14(13)23-6-4-17-19-23)15(24)11-7-18-22-5-3-16-8-12(11)22/h3-8,13-14H,9-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 326.36 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 167758506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).