3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C14H13N5O3 — CID 82269827

IUPAC3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2cc(-c3cnccn3)[nH]n2c(=O)c1CCC(=O)O
InChIInChI=1S/C14H13N5O3/c1-8-9(2-3-13(20)21)14(22)19-12(17-8)6-10(18-19)11-7-15-4-5-16-11/h4-7,18H,2-3H2,1H3,(H,20,21)
InChIKeyGYGPXOMUETVREL-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.81
Rot. Bonds4

About 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 82269827) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID82269827
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2cc(-c3cnccn3)[nH]n2c(=O)c1CCC(=O)O
InChIInChI=1S/C14H13N5O3/c1-8-9(2-3-13(20)21)14(22)19-12(17-8)6-10(18-19)11-7-15-4-5-16-11/h4-7,18H,2-3H2,1H3,(H,20,21)
InChIKeyGYGPXOMUETVREL-UHFFFAOYSA-N
XLogP0.81
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828
2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 82269784
ethyl 3-[5-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 845863
6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514317
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761950
2-tert-butyl-6-(2-chloroethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271773
5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124965663
N-cyclopentyl-3-[2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110087985
6-(2-bromoethyl)-5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271797
2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124972680
2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 82269827) is 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2cc(-c3cnccn3)[nH]n2c(=O)c1CCC(=O)O.
What is the InChIKey of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is GYGPXOMUETVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-8-9(2-3-13(20)21)14(22)19-12(17-8)6-10(18-19)11-7-15-4-5-16-11/h4-7,18H,2-3H2,1H3,(H,20,21).
What are the key properties of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 299.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 82269827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).