methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C14H21N3O3 — CID 95123709

IUPACmethyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCC[C@@H](C)C(=O)N1CCn2nc(C(=O)OC)cc2C1
InChIInChI=1S/C14H21N3O3/c1-4-5-10(2)13(18)16-6-7-17-11(9-16)8-12(15-17)14(19)20-3/h8,10H,4-7,9H2,1-3H3/t10-/m1/s1
InChIKeySAVBAVYLFFZUPG-SNVBAGLBSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds4

About methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 95123709) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID95123709
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCC[C@@H](C)C(=O)N1CCn2nc(C(=O)OC)cc2C1
InChIInChI=1S/C14H21N3O3/c1-4-5-10(2)13(18)16-6-7-17-11(9-16)8-12(15-17)14(19)20-3/h8,10H,4-7,9H2,1-3H3/t10-/m1/s1
InChIKeySAVBAVYLFFZUPG-SNVBAGLBSA-N
XLogP1.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 95123709) is methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCC[C@@H](C)C(=O)N1CCn2nc(C(=O)OC)cc2C1.
What is the InChIKey of methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is SAVBAVYLFFZUPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-5-10(2)13(18)16-6-7-17-11(9-16)8-12(15-17)14(19)20-3/h8,10H,4-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 95123709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).