3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide

C14H20F3N3O2 — CID 19564054

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H20F3N3O2/c1-22-8-2-6-18-13(21)5-7-20-11(10-3-4-10)9-12(19-20)14(15,16)17/h9-10H,2-8H2,1H3,(H,18,21)
InChIKeyYYLYFIPWHAXOGC-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.32
Rot. Bonds8

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 19564054) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID19564054
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H20F3N3O2/c1-22-8-2-6-18-13(21)5-7-20-11(10-3-4-10)9-12(19-20)14(15,16)17/h9-10H,2-8H2,1H3,(H,18,21)
InChIKeyYYLYFIPWHAXOGC-UHFFFAOYSA-N
XLogP2.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.32
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 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide (CID 19564054) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is YYLYFIPWHAXOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-22-8-2-6-18-13(21)5-7-20-11(10-3-4-10)9-12(19-20)14(15,16)17/h9-10H,2-8H2,1H3,(H,18,21).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 319.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 19564054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).