3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid

C12H14N4O3 — CID 103116353

IUPAC3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)c1cnn2ccncc12)C(=O)O
InChIInChI=1S/C12H14N4O3/c1-7(2)10(12(18)19)15-11(17)8-5-14-16-4-3-13-6-9(8)16/h3-7,10H,1-2H3,(H,15,17)(H,18,19)
InChIKeyKOPUIYZDCLFHRA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.57
Rot. Bonds4

About 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid

3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid (PubChem CID 103116353) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
PubChem CID103116353
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)c1cnn2ccncc12)C(=O)O
InChIInChI=1S/C12H14N4O3/c1-7(2)10(12(18)19)15-11(17)8-5-14-16-4-3-13-6-9(8)16/h3-7,10H,1-2H3,(H,15,17)(H,18,19)
InChIKeyKOPUIYZDCLFHRA-UHFFFAOYSA-N
XLogP0.57
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 107823505
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116011
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115859
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
CID 103123485
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid (CID 103116353) is 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid is CC(C)C(NC(=O)c1cnn2ccncc12)C(=O)O.
What is the InChIKey of 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
The InChIKey is KOPUIYZDCLFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7(2)10(12(18)19)15-11(17)8-5-14-16-4-3-13-6-9(8)16/h3-7,10H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 103116353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).