2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H14F5N3O2 — CID 19520264

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F5N3O2/c17-15(18)12-7-13(9-1-2-9)24(23-12)8-14(25)22-10-3-5-11(6-4-10)26-16(19,20)21/h3-7,9,15H,1-2,8H2,(H,22,25)
InChIKeySZRZOURSXIICLX-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.24
Rot. Bonds6

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 19520264) has the molecular formula C16H14F5N3O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID19520264
Molecular FormulaC16H14F5N3O2
Molecular Weight375.30 g/mol
Exact Mass375.10
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F5N3O2/c17-15(18)12-7-13(9-1-2-9)24(23-12)8-14(25)22-10-3-5-11(6-4-10)26-16(19,20)21/h3-7,9,15H,1-2,8H2,(H,22,25)
InChIKeySZRZOURSXIICLX-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19523919
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 19520222
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017067
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 4867079
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19403958
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 19520484
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
2-(4-pyridin-2-ylpiperidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 68873568
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 19520273

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 19520264) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SZRZOURSXIICLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N3O2/c17-15(18)12-7-13(9-1-2-9)24(23-12)8-14(25)22-10-3-5-11(6-4-10)26-16(19,20)21/h3-7,9,15H,1-2,8H2,(H,22,25).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 375.30 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 19520264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).