2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide

C15H9ClF7N3O — CID 19526991

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H9ClF7N3O/c16-9-13(5-1-2-5)26(25-14(9)15(21,22)23)4-8(27)24-12-10(19)6(17)3-7(18)11(12)20/h3,5H,1-2,4H2,(H,24,27)
InChIKeySDEMRWHJNWNDJL-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.63
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide (PubChem CID 19526991) has the molecular formula C15H9ClF7N3O and a molecular weight of 415.70 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
PubChem CID19526991
Molecular FormulaC15H9ClF7N3O
Molecular Weight415.70 g/mol
Exact Mass415.03
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H9ClF7N3O/c16-9-13(5-1-2-5)26(25-14(9)15(21,22)23)4-8(27)24-12-10(19)6(17)3-7(18)11(12)20/h3,5H,1-2,4H2,(H,24,27)
InChIKeySDEMRWHJNWNDJL-UHFFFAOYSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.63
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

N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527026
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 19527281
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 19527047
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 19527124
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527174
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19527008
4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19527236
N-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527251
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 19527066
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19527180
N-(2-adamantyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527082
N-(1-adamantylmethyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527142

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide (CID 19526991) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The InChIKey is SDEMRWHJNWNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF7N3O/c16-9-13(5-1-2-5)26(25-14(9)15(21,22)23)4-8(27)24-12-10(19)6(17)3-7(18)11(12)20/h3,5H,1-2,4H2,(H,24,27).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide has a molecular weight of 415.70 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide is sourced from PubChem (CID 19526991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).