3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C12H14N4O3 — CID 39870955

IUPAC3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)O
InChIInChI=1S/C12H14N4O3/c1-6-8(3-4-10(17)18)7(2)16-12(15-6)9(5-14-16)11(13)19/h5H,3-4H2,1-2H3,(H2,13,19)(H,17,18)
InChIKeyFLRMXXLPCZWEST-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.46
Rot. Bonds4

About 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 39870955) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID39870955
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)O
InChIInChI=1S/C12H14N4O3/c1-6-8(3-4-10(17)18)7(2)16-12(15-6)9(5-14-16)11(13)19/h5H,3-4H2,1-2H3,(H2,13,19)(H,17,18)
InChIKeyFLRMXXLPCZWEST-UHFFFAOYSA-N
XLogP0.46
TPSA110.58 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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 39870955) is 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is FLRMXXLPCZWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-8(3-4-10(17)18)7(2)16-12(15-6)9(5-14-16)11(13)19/h5H,3-4H2,1-2H3,(H2,13,19)(H,17,18).
What are the key properties of 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 39870955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).