2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide

C20H13ClF5N3O — CID 151528432

IUPAC2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1-c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClF5N3O/c21-11-2-1-3-12(22)17(11)16-10(19(27)30)6-7-13(18(16)23)29-14(9-4-5-9)8-15(28-29)20(24,25)26/h1-3,6-9H,4-5H2,(H2,27,30)
InChIKeyPVYQZPYDMNBZFS-UHFFFAOYSA-N
MW441.79 g/mol
LogP5.47
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide

2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide (PubChem CID 151528432) has the molecular formula C20H13ClF5N3O and a molecular weight of 441.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide
PubChem CID151528432
Molecular FormulaC20H13ClF5N3O
Molecular Weight441.79 g/mol
Exact Mass441.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1-c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClF5N3O/c21-11-2-1-3-12(22)17(11)16-10(19(27)30)6-7-13(18(16)23)29-14(9-4-5-9)8-15(28-29)20(24,25)26/h1-3,6-9H,4-5H2,(H2,27,30)
InChIKeyPVYQZPYDMNBZFS-UHFFFAOYSA-N
XLogP5.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520941
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-(3-chloro-2-methylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563786
3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole
CID 141307719
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19536233
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563872
2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole
CID 141307764
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 19627794
2-chloro-N'-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanimidamide
CID 169368196
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379
4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 139967083
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide (CID 151528432) is 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide is NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1-c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide?
The InChIKey is PVYQZPYDMNBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF5N3O/c21-11-2-1-3-12(22)17(11)16-10(19(27)30)6-7-13(18(16)23)29-14(9-4-5-9)8-15(28-29)20(24,25)26/h1-3,6-9H,4-5H2,(H2,27,30).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide?
2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide has a molecular weight of 441.79 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 151528432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).