methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate

C14H18N4O3 — CID 103121150

IUPACmethyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C14H18N4O3/c1-21-13(19)5-3-2-4-6-16-14(20)11-9-17-18-8-7-15-10-12(11)18/h7-10H,2-6H2,1H3,(H,16,20)
InChIKeyIVOILSIPNWCZPM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.19
Rot. Bonds7

About methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate

methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate (PubChem CID 103121150) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
PubChem CID103121150
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C14H18N4O3/c1-21-13(19)5-3-2-4-6-16-14(20)11-9-17-18-8-7-15-10-12(11)18/h7-10H,2-6H2,1H3,(H,16,20)
InChIKeyIVOILSIPNWCZPM-UHFFFAOYSA-N
XLogP1.19
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-[3-(cyclopropylamino)propyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120602
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120442
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate (CID 103121150) is methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)c1cnn2ccncc12.
What is the InChIKey of methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate?
The InChIKey is IVOILSIPNWCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-21-13(19)5-3-2-4-6-16-14(20)11-9-17-18-8-7-15-10-12(11)18/h7-10H,2-6H2,1H3,(H,16,20).
What are the key properties of methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate?
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate has a molecular weight of 290.32 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate is sourced from PubChem (CID 103121150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).