2-cyano-N-(1H-pyrazol-5-yl)acetamide

C6H6N4O — CID 2807823

IUPAC2-cyano-N-(1H-pyrazol-5-yl)acetamide
SMILESN#CCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H6N4O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1H2,(H2,8,9,10,11)
InChIKeyACOVFXIIBOFROY-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.26
Rot. Bonds2

About 2-cyano-N-(1H-pyrazol-5-yl)acetamide

2-cyano-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 2807823) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-cyano-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1H-pyrazol-5-yl)acetamide
PubChem CID2807823
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-cyano-N-(1H-pyrazol-5-yl)acetamide
SMILESN#CCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H6N4O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1H2,(H2,8,9,10,11)
InChIKeyACOVFXIIBOFROY-UHFFFAOYSA-N
XLogP0.26
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(1H-pyrazol-5-yl)acetamide (CID 2807823) is 2-cyano-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1H-pyrazol-5-yl)acetamide is N#CCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-cyano-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is ACOVFXIIBOFROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1H2,(H2,8,9,10,11).
What are the key properties of 2-cyano-N-(1H-pyrazol-5-yl)acetamide?
2-cyano-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 150.14 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 2807823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).