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

C17H25F3N4O2 — CID 19540119

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25F3N4O2/c1-12(16(25)21-4-5-23-6-8-26-9-7-23)11-24-14(13-2-3-13)10-15(22-24)17(18,19)20/h10,12-13H,2-9,11H2,1H3,(H,21,25)
InChIKeyUEUAKGVYIYVEAY-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.86
Rot. Bonds7

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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 19540119) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID19540119
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25F3N4O2/c1-12(16(25)21-4-5-23-6-8-26-9-7-23)11-24-14(13-2-3-13)10-15(22-24)17(18,19)20/h10,12-13H,2-9,11H2,1H3,(H,21,25)
InChIKeyUEUAKGVYIYVEAY-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 19540119) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is CC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is UEUAKGVYIYVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-12(16(25)21-4-5-23-6-8-26-9-7-23)11-24-14(13-2-3-13)10-15(22-24)17(18,19)20/h10,12-13H,2-9,11H2,1H3,(H,21,25).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 374.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 19540119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).