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

C17H19F6N5O2 — CID 19540139

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C17H19F6N5O2/c1-10(6-28-13(11-2-3-11)4-14(26-28)17(21,22)23)15(29)25-12-5-24-27(7-12)9-30-8-16(18,19)20/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,25,29)
InChIKeyUTILWVQLFWEUAZ-UHFFFAOYSA-N
MW439.36 g/mol
LogP3.79
Rot. Bonds8

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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide (PubChem CID 19540139) has the molecular formula C17H19F6N5O2 and a molecular weight of 439.36 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
PubChem CID19540139
Molecular FormulaC17H19F6N5O2
Molecular Weight439.36 g/mol
Exact Mass439.14
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C17H19F6N5O2/c1-10(6-28-13(11-2-3-11)4-14(26-28)17(21,22)23)15(29)25-12-5-24-27(7-12)9-30-8-16(18,19)20/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,25,29)
InChIKeyUTILWVQLFWEUAZ-UHFFFAOYSA-N
XLogP3.79
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19526355
N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
CID 19570636
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpropanamide
CID 19570766
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19540090
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19564031
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(1-phenylethyl)propanamide
CID 19570652
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520859
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19570781
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-methylpropanamide
CID 19540091
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19535067
1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
CID 19449764
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19537438

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide (CID 19540139) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide is CC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
The InChIKey is UTILWVQLFWEUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F6N5O2/c1-10(6-28-13(11-2-3-11)4-14(26-28)17(21,22)23)15(29)25-12-5-24-27(7-12)9-30-8-16(18,19)20/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,25,29).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide has a molecular weight of 439.36 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19540139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).