2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

C13H13N5O3 — CID 175346737

IUPAC2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCNC(=O)c1ccc(-n2cc3c(n2)CN(C(=O)O)C3)cn1
InChIInChI=1S/C13H13N5O3/c1-14-12(19)10-3-2-9(4-15-10)18-6-8-5-17(13(20)21)7-11(8)16-18/h2-4,6H,5,7H2,1H3,(H,14,19)(H,20,21)
InChIKeyHCEMFTZCBRNCQT-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.62
Rot. Bonds2

About 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 175346737) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID175346737
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCNC(=O)c1ccc(-n2cc3c(n2)CN(C(=O)O)C3)cn1
InChIInChI=1S/C13H13N5O3/c1-14-12(19)10-3-2-9(4-15-10)18-6-8-5-17(13(20)21)7-11(8)16-18/h2-4,6H,5,7H2,1H3,(H,14,19)(H,20,21)
InChIKeyHCEMFTZCBRNCQT-UHFFFAOYSA-N
XLogP0.62
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 175346737) is 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is CNC(=O)c1ccc(-n2cc3c(n2)CN(C(=O)O)C3)cn1.
What is the InChIKey of 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is HCEMFTZCBRNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-14-12(19)10-3-2-9(4-15-10)18-6-8-5-17(13(20)21)7-11(8)16-18/h2-4,6H,5,7H2,1H3,(H,14,19)(H,20,21).
What are the key properties of 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylcarbamoyl)-3-pyridinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 175346737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).