N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide

C8H13N3O2 — CID 116793988

IUPACN-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
SMILESCNC(=O)C(C)Oc1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-6(8(12)9-2)13-7-4-10-11(3)5-7/h4-6H,1-3H3,(H,9,12)
InChIKeyHJAVZTKCCYZUTE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.07
Rot. Bonds3

About N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide

N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide (PubChem CID 116793988) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
PubChem CID116793988
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
SMILESCNC(=O)C(C)Oc1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-6(8(12)9-2)13-7-4-10-11(3)5-7/h4-6H,1-3H3,(H,9,12)
InChIKeyHJAVZTKCCYZUTE-UHFFFAOYSA-N
XLogP-0.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide (CID 116793988) is N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide is CNC(=O)C(C)Oc1cnn(C)c1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide?
The InChIKey is HJAVZTKCCYZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(8(12)9-2)13-7-4-10-11(3)5-7/h4-6H,1-3H3,(H,9,12).
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide?
N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide has a molecular weight of 183.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide is sourced from PubChem (CID 116793988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).