2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C17H25F3N4O2 — CID 19534985

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H25F3N4O2/c1-12(16(25)21-5-2-6-23-7-9-26-10-8-23)24-14(13-3-4-13)11-15(22-24)17(18,19)20/h11-13H,2-10H2,1H3,(H,21,25)
InChIKeyHZUFZYOOQNKCFM-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.18
Rot. Bonds7

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 19534985) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID19534985
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H25F3N4O2/c1-12(16(25)21-5-2-6-23-7-9-26-10-8-23)24-14(13-3-4-13)11-15(22-24)17(18,19)20/h11-13H,2-10H2,1H3,(H,21,25)
InChIKeyHZUFZYOOQNKCFM-UHFFFAOYSA-N
XLogP2.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 19534985) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is CC(C(=O)NCCCN1CCOCC1)n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is HZUFZYOOQNKCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-12(16(25)21-5-2-6-23-7-9-26-10-8-23)24-14(13-3-4-13)11-15(22-24)17(18,19)20/h11-13H,2-10H2,1H3,(H,21,25).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 374.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 19534985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).