2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide

C23H17ClF7N3O — CID 123354037

IUPAC2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide
SMILESCc1cc(C(F)C(F)(F)F)cc(C(F)(F)F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1
InChIInChI=1S/C23H17ClF7N3O/c1-11-6-13(20(25)23(29,30)31)8-17(22(26,27)28)19(11)34-10-14(9-32-34)12-2-5-18(24)16(7-12)21(35)33-15-3-4-15/h2,5-10,15,20H,3-4H2,1H3,(H,33,35)
InChIKeyCFQIXTBFMXAKEE-UHFFFAOYSA-N
MW519.85 g/mol
LogP6.99
Rot. Bonds5

About 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide

2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide (PubChem CID 123354037) has the molecular formula C23H17ClF7N3O and a molecular weight of 519.85 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide
PubChem CID123354037
Molecular FormulaC23H17ClF7N3O
Molecular Weight519.85 g/mol
Exact Mass519.09
IUPAC Name2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide
SMILESCc1cc(C(F)C(F)(F)F)cc(C(F)(F)F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1
InChIInChI=1S/C23H17ClF7N3O/c1-11-6-13(20(25)23(29,30)31)8-17(22(26,27)28)19(11)34-10-14(9-32-34)12-2-5-18(24)16(7-12)21(35)33-15-3-4-15/h2,5-10,15,20H,3-4H2,1H3,(H,33,35)
InChIKeyCFQIXTBFMXAKEE-UHFFFAOYSA-N
XLogP6.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.85
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283611
2-chloro-N-cyclopropyl-5-[4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]pyrazol-1-yl]benzamide
CID 118070127
2-chloro-N-cyclopropyl-5-[1-[4-ethynyl-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 130356970
5-[1-[3-(2-bromo-2-chloro-1,1-difluoroethoxy)-1,4-dimethylpyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283668
5-[1-[4-bromo-1-methyl-3-(trifluoromethylsulfanyl)pyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283651
2-chloro-N-cyclopropyl-5-[1-[4-ethenyl-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 130356967
N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide
CID 129306071
[1-[5-[4-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]pyrazol-1-yl]-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]oxy-3,4,4,4-tetrafluorobutan-2-yl] thiohypofluorite
CID 129306002
2-chloro-N-cyclopropyl-5-[1-[1-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129305995
2-chloro-N-cyclopropyl-5-[1-[3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethyl)propoxy]-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 137419523
2-chloro-N-cyclopropyl-5-[1-[4-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 130357088
2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride
CID 158344595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide (CID 123354037) is 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide is Cc1cc(C(F)C(F)(F)F)cc(C(F)(F)F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide?
The InChIKey is CFQIXTBFMXAKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF7N3O/c1-11-6-13(20(25)23(29,30)31)8-17(22(26,27)28)19(11)34-10-14(9-32-34)12-2-5-18(24)16(7-12)21(35)33-15-3-4-15/h2,5-10,15,20H,3-4H2,1H3,(H,33,35).
What are the key properties of 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide?
2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide has a molecular weight of 519.85 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 123354037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).