N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C13H18N4O3 — CID 103118121

IUPACN-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCOC(CNC(=O)c1cnn2ccncc12)OCC
InChIInChI=1S/C13H18N4O3/c1-3-19-12(20-4-2)9-15-13(18)10-7-16-17-6-5-14-8-11(10)17/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyBBGMWCNPSFHNPJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.86
Rot. Bonds7

About N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103118121) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103118121
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCOC(CNC(=O)c1cnn2ccncc12)OCC
InChIInChI=1S/C13H18N4O3/c1-3-19-12(20-4-2)9-15-13(18)10-7-16-17-6-5-14-8-11(10)17/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyBBGMWCNPSFHNPJ-UHFFFAOYSA-N
XLogP0.86
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
N-[2-(2-bromoethyl)pentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106118084
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120442
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103118121) is N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is CCOC(CNC(=O)c1cnn2ccncc12)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is BBGMWCNPSFHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-19-12(20-4-2)9-15-13(18)10-7-16-17-6-5-14-8-11(10)17/h5-8,12H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103118121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).