3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide

C7H7N5O2 — CID 130778595

IUPAC3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide
SMILESN#Cc1cnn(C(=O)CC(N)=O)c1N
InChIInChI=1S/C7H7N5O2/c8-2-4-3-11-12(7(4)10)6(14)1-5(9)13/h3H,1,10H2,(H2,9,13)
InChIKeyVEIKJGFOSKHRID-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.15
Rot. Bonds2

About 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide

3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide (PubChem CID 130778595) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide
PubChem CID130778595
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide
SMILESN#Cc1cnn(C(=O)CC(N)=O)c1N
InChIInChI=1S/C7H7N5O2/c8-2-4-3-11-12(7(4)10)6(14)1-5(9)13/h3H,1,10H2,(H2,9,13)
InChIKeyVEIKJGFOSKHRID-UHFFFAOYSA-N
XLogP-1.15
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide?
The IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide (CID 130778595) is 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide.
What is the SMILES notation for 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide?
The canonical SMILES for 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide is N#Cc1cnn(C(=O)CC(N)=O)c1N.
What is the InChIKey of 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide?
The InChIKey is VEIKJGFOSKHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-2-4-3-11-12(7(4)10)6(14)1-5(9)13/h3H,1,10H2,(H2,9,13).
What are the key properties of 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide?
3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide has a molecular weight of 193.17 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 130778595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).