methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate

C12H14N4O2 — CID 113446554

IUPACmethyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nccn2nccc12
InChIInChI=1S/C12H14N4O2/c1-18-12(17)10-3-2-7-15(10)11-9-4-5-14-16(9)8-6-13-11/h4-6,8,10H,2-3,7H2,1H3
InChIKeyHCYWRFSPOLXKCA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.87
Rot. Bonds2

About methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate

methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate (PubChem CID 113446554) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
PubChem CID113446554
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nccn2nccc12
InChIInChI=1S/C12H14N4O2/c1-18-12(17)10-3-2-7-15(10)11-9-4-5-14-16(9)8-6-13-11/h4-6,8,10H,2-3,7H2,1H3
InChIKeyHCYWRFSPOLXKCA-UHFFFAOYSA-N
XLogP0.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
CID 104729407
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-2-carbaldehyde
CID 104733726
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone
CID 113446199
1-pyrazolo[1,5-a]pyrazin-4-ylpiperazine-2-carboxylic acid
CID 113446483
N,N-dimethyl-1-pyrazolo[1,5-a]pyrazin-4-ylpiperazine-2-carboxamide
CID 104732650
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821

Frequently Asked Questions

What is the IUPAC name of methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate (CID 113446554) is methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1nccn2nccc12.
What is the InChIKey of methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate?
The InChIKey is HCYWRFSPOLXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12(17)10-3-2-7-15(10)11-9-4-5-14-16(9)8-6-13-11/h4-6,8,10H,2-3,7H2,1H3.
What are the key properties of methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate?
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 113446554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).