3-pyrazol-1-ylpropanamide

C6H9N3O — CID 14088731

IUPAC3-pyrazol-1-ylpropanamide
SMILESNC(=O)CCn1cccn1
InChIInChI=1S/C6H9N3O/c7-6(10)2-5-9-4-1-3-8-9/h1,3-4H,2,5H2,(H2,7,10)
InChIKeyJAMWWGXYGGGMGS-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.24
Rot. Bonds3

About 3-pyrazol-1-ylpropanamide

3-pyrazol-1-ylpropanamide (PubChem CID 14088731) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name3-pyrazol-1-ylpropanamide
PubChem CID14088731
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-pyrazol-1-ylpropanamide
SMILESNC(=O)CCn1cccn1
InChIInChI=1S/C6H9N3O/c7-6(10)2-5-9-4-1-3-8-9/h1,3-4H,2,5H2,(H2,7,10)
InChIKeyJAMWWGXYGGGMGS-UHFFFAOYSA-N
XLogP-0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylpropanamide?
The IUPAC name of 3-pyrazol-1-ylpropanamide (CID 14088731) is 3-pyrazol-1-ylpropanamide.
What is the SMILES notation for 3-pyrazol-1-ylpropanamide?
The canonical SMILES for 3-pyrazol-1-ylpropanamide is NC(=O)CCn1cccn1.
What is the InChIKey of 3-pyrazol-1-ylpropanamide?
The InChIKey is JAMWWGXYGGGMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)2-5-9-4-1-3-8-9/h1,3-4H,2,5H2,(H2,7,10).
What are the key properties of 3-pyrazol-1-ylpropanamide?
3-pyrazol-1-ylpropanamide has a molecular weight of 139.16 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 14088731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).