2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid

C14H16N4O3 — CID 103116719

IUPAC2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C14H16N4O3/c19-13(20)6-10-2-1-4-17(9-10)14(21)11-7-16-18-5-3-15-8-12(11)18/h3,5,7-8,10H,1-2,4,6,9H2,(H,19,20)
InChIKeyXCLBUBIXIJXJPH-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.06
Rot. Bonds3

About 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 103116719) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID103116719
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C14H16N4O3/c19-13(20)6-10-2-1-4-17(9-10)14(21)11-7-16-18-5-3-15-8-12(11)18/h3,5,7-8,10H,1-2,4,6,9H2,(H,19,20)
InChIKeyXCLBUBIXIJXJPH-UHFFFAOYSA-N
XLogP1.06
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
3-cyclopentyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-one
CID 114192929
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103120918
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 103116765
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103121075
[2-(bromomethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122459
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid (CID 103116719) is 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2cnn3ccncc23)C1.
What is the InChIKey of 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is XCLBUBIXIJXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(20)6-10-2-1-4-17(9-10)14(21)11-7-16-18-5-3-15-8-12(11)18/h3,5,7-8,10H,1-2,4,6,9H2,(H,19,20).
What are the key properties of 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 103116719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).