(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide

C11H19N3O2 — CID 124568629

IUPAC(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-5-16-9(4)11(15)12-6-10-7(2)13-14-8(10)3/h9H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyKUPVJMFGGOEASU-VIFPVBQESA-N
MW225.29 g/mol
LogP1.07
Rot. Bonds5

About (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide

(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide (PubChem CID 124568629) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide
PubChem CID124568629
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-5-16-9(4)11(15)12-6-10-7(2)13-14-8(10)3/h9H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyKUPVJMFGGOEASU-VIFPVBQESA-N
XLogP1.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide (CID 124568629) is (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)NCc1c(C)n[nH]c1C.
What is the InChIKey of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide?
The InChIKey is KUPVJMFGGOEASU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-9(4)11(15)12-6-10-7(2)13-14-8(10)3/h9H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide?
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide has a molecular weight of 225.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 124568629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).