N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide

C13H23N3O2 — CID 90648692

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NC(C)Cn1nc(C)cc1C
InChIInChI=1S/C13H23N3O2/c1-5-18-7-6-13(17)14-11(3)9-16-12(4)8-10(2)15-16/h8,11H,5-7,9H2,1-4H3,(H,14,17)
InChIKeyWJWXKBSHUORUIP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.43
Rot. Bonds7

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide (PubChem CID 90648692) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide
PubChem CID90648692
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NC(C)Cn1nc(C)cc1C
InChIInChI=1S/C13H23N3O2/c1-5-18-7-6-13(17)14-11(3)9-16-12(4)8-10(2)15-16/h8,11H,5-7,9H2,1-4H3,(H,14,17)
InChIKeyWJWXKBSHUORUIP-UHFFFAOYSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide (CID 90648692) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide is CCOCCC(=O)NC(C)Cn1nc(C)cc1C.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide?
The InChIKey is WJWXKBSHUORUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-18-7-6-13(17)14-11(3)9-16-12(4)8-10(2)15-16/h8,11H,5-7,9H2,1-4H3,(H,14,17).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-ethoxypropanamide is sourced from PubChem (CID 90648692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).