2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C13H16N4O3 — CID 79219441

IUPAC2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2c(C(N)=O)cnn2c(CC)c1CC(=O)O
InChIInChI=1S/C13H16N4O3/c1-3-9-7(5-11(18)19)10(4-2)17-13(16-9)8(6-15-17)12(14)20/h6H,3-5H2,1-2H3,(H2,14,20)(H,18,19)
InChIKeyRAMALLHHYXJZDS-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.58
Rot. Bonds5

About 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 79219441) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID79219441
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2c(C(N)=O)cnn2c(CC)c1CC(=O)O
InChIInChI=1S/C13H16N4O3/c1-3-9-7(5-11(18)19)10(4-2)17-13(16-9)8(6-15-17)12(14)20/h6H,3-5H2,1-2H3,(H2,14,20)(H,18,19)
InChIKeyRAMALLHHYXJZDS-UHFFFAOYSA-N
XLogP0.58
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 79219441) is 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is CCc1nc2c(C(N)=O)cnn2c(CC)c1CC(=O)O.
What is the InChIKey of 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is RAMALLHHYXJZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-9-7(5-11(18)19)10(4-2)17-13(16-9)8(6-15-17)12(14)20/h6H,3-5H2,1-2H3,(H2,14,20)(H,18,19).
What are the key properties of 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 276.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 79219441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).