2-pyrazol-1-ylpropanamide

C6H9N3O — CID 25248322

IUPAC2-pyrazol-1-ylpropanamide
SMILESCC(C(N)=O)n1cccn1
InChIInChI=1S/C6H9N3O/c1-5(6(7)10)9-4-2-3-8-9/h2-5H,1H3,(H2,7,10)
InChIKeyCVZRDDTXGDTKOJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.07
Rot. Bonds2

About 2-pyrazol-1-ylpropanamide

2-pyrazol-1-ylpropanamide (PubChem CID 25248322) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name2-pyrazol-1-ylpropanamide
PubChem CID25248322
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-pyrazol-1-ylpropanamide
SMILESCC(C(N)=O)n1cccn1
InChIInChI=1S/C6H9N3O/c1-5(6(7)10)9-4-2-3-8-9/h2-5H,1H3,(H2,7,10)
InChIKeyCVZRDDTXGDTKOJ-UHFFFAOYSA-N
XLogP-0.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylpropanamide?
The IUPAC name of 2-pyrazol-1-ylpropanamide (CID 25248322) is 2-pyrazol-1-ylpropanamide.
What is the SMILES notation for 2-pyrazol-1-ylpropanamide?
The canonical SMILES for 2-pyrazol-1-ylpropanamide is CC(C(N)=O)n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylpropanamide?
The InChIKey is CVZRDDTXGDTKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5(6(7)10)9-4-2-3-8-9/h2-5H,1H3,(H2,7,10).
What are the key properties of 2-pyrazol-1-ylpropanamide?
2-pyrazol-1-ylpropanamide has a molecular weight of 139.16 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 25248322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).