2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide

C16H10F9N3O — CID 19530246

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc1C(F)F)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H10F9N3O/c17-10-9(16(23,24)25)11(18)13(20)14(12(10)19)26-8(29)4-28-7(15(21)22)3-6(27-28)5-1-2-5/h3,5,15H,1-2,4H2,(H,26,29)
InChIKeyZXBVJANIHKJBBH-UHFFFAOYSA-N
MW431.26 g/mol
LogP4.91
Rot. Bonds5

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 19530246) has the molecular formula C16H10F9N3O and a molecular weight of 431.26 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID19530246
Molecular FormulaC16H10F9N3O
Molecular Weight431.26 g/mol
Exact Mass431.07
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc1C(F)F)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H10F9N3O/c17-10-9(16(23,24)25)11(18)13(20)14(12(10)19)26-8(29)4-28-7(15(21)22)3-6(27-28)5-1-2-5/h3,5,15H,1-2,4H2,(H,26,29)
InChIKeyZXBVJANIHKJBBH-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19530408
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19530124
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19530209
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19530270
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19530332
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530319
propan-2-yl 2-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19530171
ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017150
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19530182
N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19530365
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19529942
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530288

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide (CID 19530246) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZXBVJANIHKJBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F9N3O/c17-10-9(16(23,24)25)11(18)13(20)14(12(10)19)26-8(29)4-28-7(15(21)22)3-6(27-28)5-1-2-5/h3,5,15H,1-2,4H2,(H,26,29).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 431.26 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 19530246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).