methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate

C14H18N4O2 — CID 104733431

IUPACmethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nccn2nc(C)cc12
InChIInChI=1S/C14H18N4O2/c1-10-9-12-13(15-6-8-18(12)16-10)17-7-4-3-5-11(17)14(19)20-2/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyHBCGTLSACWLOLG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds2

About methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate

methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate (PubChem CID 104733431) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
PubChem CID104733431
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nccn2nc(C)cc12
InChIInChI=1S/C14H18N4O2/c1-10-9-12-13(15-6-8-18(12)16-10)17-7-4-3-5-11(17)14(19)20-2/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyHBCGTLSACWLOLG-UHFFFAOYSA-N
XLogP1.57
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
CID 113446200
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669
2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
CID 104729670
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate
CID 104733435
N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
CID 104729254
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazine-2-carboxamide
CID 104732644

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate (CID 104733431) is methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nccn2nc(C)cc12.
What is the InChIKey of methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate?
The InChIKey is HBCGTLSACWLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-9-12-13(15-6-8-18(12)16-10)17-7-4-3-5-11(17)14(19)20-2/h6,8-9,11H,3-5,7H2,1-2H3.
What are the key properties of methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate?
methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 104733431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).