3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide

C15H22F3N3O2 — CID 19540127

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H22F3N3O2/c1-10(14(22)19-6-3-7-23-2)9-21-12(11-4-5-11)8-13(20-21)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyNMVSUNUHWPBPEX-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.57
Rot. Bonds8

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide (PubChem CID 19540127) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide
PubChem CID19540127
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H22F3N3O2/c1-10(14(22)19-6-3-7-23-2)9-21-12(11-4-5-11)8-13(20-21)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyNMVSUNUHWPBPEX-UHFFFAOYSA-N
XLogP2.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.57
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)-2-methylpropanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide (CID 19540127) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide is COCCCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide?
The InChIKey is NMVSUNUHWPBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-10(14(22)19-6-3-7-23-2)9-21-12(11-4-5-11)8-13(20-21)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H,19,22).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide has a molecular weight of 333.35 g/mol, XLogP of 2.57, 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)-2-methylpropanamide is sourced from PubChem (CID 19540127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).