pyrano[3,4-c]pyrazole-3-carboxamide

C7H5N3O2 — CID 141269587

IUPACpyrano[3,4-c]pyrazole-3-carboxamide
SMILESNC(=O)c1nnc2coccc1-2
InChIInChI=1S/C7H5N3O2/c8-7(11)6-4-1-2-12-3-5(4)9-10-6/h1-3H,(H2,8,11)
InChIKeyBYKRMWALPODJOF-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.27
Rot. Bonds1

About pyrano[3,4-c]pyrazole-3-carboxamide

pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 141269587) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Namepyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID141269587
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Namepyrano[3,4-c]pyrazole-3-carboxamide
SMILESNC(=O)c1nnc2coccc1-2
InChIInChI=1S/C7H5N3O2/c8-7(11)6-4-1-2-12-3-5(4)9-10-6/h1-3H,(H2,8,11)
InChIKeyBYKRMWALPODJOF-UHFFFAOYSA-N
XLogP0.27
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of pyrano[3,4-c]pyrazole-3-carboxamide (CID 141269587) is pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for pyrano[3,4-c]pyrazole-3-carboxamide is NC(=O)c1nnc2coccc1-2.
What is the InChIKey of pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is BYKRMWALPODJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-7(11)6-4-1-2-12-3-5(4)9-10-6/h1-3H,(H2,8,11).
What are the key properties of pyrano[3,4-c]pyrazole-3-carboxamide?
pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 163.14 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 141269587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).