3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide

C10H17N3O2 — CID 62715466

IUPAC3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCCCOCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-2-4-15-5-3-10(14)11-6-9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyVWURHIDWRJMQPM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.84
Rot. Bonds7

About 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide

3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 62715466) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID62715466
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCCCOCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-2-4-15-5-3-10(14)11-6-9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyVWURHIDWRJMQPM-UHFFFAOYSA-N
XLogP0.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 62715466) is 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide is CCCOCCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is VWURHIDWRJMQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-15-5-3-10(14)11-6-9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 211.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 62715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).