N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide

C19H20F3N3O2 — CID 19570636

IUPACN-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-11(18(27)23-15-7-5-13(6-8-15)12(2)26)10-25-16(14-3-4-14)9-17(24-25)19(20,21)22/h5-9,11,14H,3-4,10H2,1-2H3,(H,23,27)
InChIKeyXLYIHTBRFTYPBP-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.26
Rot. Bonds6

About N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide

N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 19570636) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID19570636
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-11(18(27)23-15-7-5-13(6-8-15)12(2)26)10-25-16(14-3-4-14)9-17(24-25)19(20,21)22/h5-9,11,14H,3-4,10H2,1-2H3,(H,23,27)
InChIKeyXLYIHTBRFTYPBP-UHFFFAOYSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534958
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]-2-methyl-N-(1-phenylethyl)propanamide
CID 19570652
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19540139
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]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19570781
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanethioamide
CID 19616581
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-methylpropanamide
CID 19540091
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
CID 19570776
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
CID 19570803
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide
CID 19570611
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-methylpropanamide
CID 19570725

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide (CID 19570636) is N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide is CC(=O)c1ccc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is XLYIHTBRFTYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11(18(27)23-15-7-5-13(6-8-15)12(2)26)10-25-16(14-3-4-14)9-17(24-25)19(20,21)22/h5-9,11,14H,3-4,10H2,1-2H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 379.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 19570636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).