3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid

C12H9N5O6 — CID 91584588

IUPAC3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
SMILESCn1nccc1C(=O)Nc1nn(C(=O)O)c2cc(C(=O)O)oc12
InChIInChI=1S/C12H9N5O6/c1-16-5(2-3-13-16)10(18)14-9-8-6(17(15-9)12(21)22)4-7(23-8)11(19)20/h2-4H,1H3,(H,19,20)(H,21,22)(H,14,15,18)
InChIKeyADFWTRAVIZCETQ-UHFFFAOYSA-N
MW319.23 g/mol
LogP0.84
Rot. Bonds3

About 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid

3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid (PubChem CID 91584588) has the molecular formula C12H9N5O6 and a molecular weight of 319.23 g/mol. Its IUPAC name is 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
PubChem CID91584588
Molecular FormulaC12H9N5O6
Molecular Weight319.23 g/mol
Exact Mass319.06
IUPAC Name3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
SMILESCn1nccc1C(=O)Nc1nn(C(=O)O)c2cc(C(=O)O)oc12
InChIInChI=1S/C12H9N5O6/c1-16-5(2-3-13-16)10(18)14-9-8-6(17(15-9)12(21)22)4-7(23-8)11(19)20/h2-4H,1H3,(H,19,20)(H,21,22)(H,14,15,18)
InChIKeyADFWTRAVIZCETQ-UHFFFAOYSA-N
XLogP0.84
TPSA152.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
The IUPAC name of 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid (CID 91584588) is 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid.
What is the SMILES notation for 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
The canonical SMILES for 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid is Cn1nccc1C(=O)Nc1nn(C(=O)O)c2cc(C(=O)O)oc12.
What is the InChIKey of 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
The InChIKey is ADFWTRAVIZCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O6/c1-16-5(2-3-13-16)10(18)14-9-8-6(17(15-9)12(21)22)4-7(23-8)11(19)20/h2-4H,1H3,(H,19,20)(H,21,22)(H,14,15,18).
What are the key properties of 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid has a molecular weight of 319.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid is sourced from PubChem (CID 91584588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).