3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid

C14H16N4O3 — CID 103116765

IUPAC3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C14H16N4O3/c1-14(13(20)21)3-2-5-17(9-14)12(19)10-7-16-18-6-4-15-8-11(10)18/h4,6-8H,2-3,5,9H2,1H3,(H,20,21)
InChIKeyQCANTSNKGLQZHQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.06
Rot. Bonds2

About 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 103116765) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID103116765
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C14H16N4O3/c1-14(13(20)21)3-2-5-17(9-14)12(19)10-7-16-18-6-4-15-8-11(10)18/h4,6-8H,2-3,5,9H2,1H3,(H,20,21)
InChIKeyQCANTSNKGLQZHQ-UHFFFAOYSA-N
XLogP1.06
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 139001065
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256608
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120855
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 79803046
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid (CID 103116765) is 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2cnn3ccncc23)C1.
What is the InChIKey of 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QCANTSNKGLQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-14(13(20)21)3-2-5-17(9-14)12(19)10-7-16-18-6-4-15-8-11(10)18/h4,6-8H,2-3,5,9H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 103116765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).