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

C8H13N3O2 — CID 62590233

IUPAC3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCOCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H13N3O2/c1-13-3-2-8(12)9-4-7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyYDYWQSYMEKZOJA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds5

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

3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 62590233) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID62590233
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCOCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H13N3O2/c1-13-3-2-8(12)9-4-7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyYDYWQSYMEKZOJA-UHFFFAOYSA-N
XLogP0.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 62590233) is 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide is COCCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is YDYWQSYMEKZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-3-2-8(12)9-4-7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 62590233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).