benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C14H13N3O2 — CID 141237024

IUPACbenzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1C=Cn2nccc2C1
InChIInChI=1S/C14H13N3O2/c18-14(19-11-12-4-2-1-3-5-12)16-8-9-17-13(10-16)6-7-15-17/h1-9H,10-11H2
InChIKeyGNXIZRVHMRSTOT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.46
Rot. Bonds2

About benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 141237024) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID141237024
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Namebenzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1C=Cn2nccc2C1
InChIInChI=1S/C14H13N3O2/c18-14(19-11-12-4-2-1-3-5-12)16-8-9-17-13(10-16)6-7-15-17/h1-9H,10-11H2
InChIKeyGNXIZRVHMRSTOT-UHFFFAOYSA-N
XLogP2.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11507904
benzyl (3S)-3-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11031771
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CID 10707871
benzyl 5-bromo-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 11652495
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
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benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
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CID 158057698

Frequently Asked Questions

What is the IUPAC name of benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 141237024) is benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is O=C(OCc1ccccc1)N1C=Cn2nccc2C1.
What is the InChIKey of benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is GNXIZRVHMRSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19-11-12-4-2-1-3-5-12)16-8-9-17-13(10-16)6-7-15-17/h1-9H,10-11H2.
What are the key properties of benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 141237024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).