N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide

C22H18F9N5O2 — CID 129306071

IUPACN-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide
SMILESCc1ccc(-c2cnn(-c3c(C(F)(F)F)c(OC(F)(F)C(F)C(F)(F)F)nn3C)c2)cc1C(=O)NC1CC1
InChIInChI=1S/C22H18F9N5O2/c1-10-3-4-11(7-14(10)16(37)33-13-5-6-13)12-8-32-36(9-12)18-15(20(24,25)26)17(34-35(18)2)38-22(30,31)19(23)21(27,28)29/h3-4,7-9,13,19H,5-6H2,1-2H3,(H,33,37)
InChIKeyFPZBRFUFWUREKV-UHFFFAOYSA-N
MW555.40 g/mol
LogP5.36
Rot. Bonds7

About N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide

N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide (PubChem CID 129306071) has the molecular formula C22H18F9N5O2 and a molecular weight of 555.40 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide
PubChem CID129306071
Molecular FormulaC22H18F9N5O2
Molecular Weight555.40 g/mol
Exact Mass555.13
IUPAC NameN-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide
SMILESCc1ccc(-c2cnn(-c3c(C(F)(F)F)c(OC(F)(F)C(F)C(F)(F)F)nn3C)c2)cc1C(=O)NC1CC1
InChIInChI=1S/C22H18F9N5O2/c1-10-3-4-11(7-14(10)16(37)33-13-5-6-13)12-8-32-36(9-12)18-15(20(24,25)26)17(34-35(18)2)38-22(30,31)19(23)21(27,28)29/h3-4,7-9,13,19H,5-6H2,1-2H3,(H,33,37)
InChIKeyFPZBRFUFWUREKV-UHFFFAOYSA-N
XLogP5.36
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[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
1-[2-chloro-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]phenyl]-2-cyclopropylethanone
CID 158228777
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
5-[1-[3-(2-bromo-2-chloro-1,1-difluoroethoxy)-1,4-dimethylpyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283668
[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-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129306014
2,3-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129305898
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-(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-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide
CID 123354037
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide?
The IUPAC name of 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) is N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide is Cc1ccc(-c2cnn(-c3c(C(F)(F)F)c(OC(F)(F)C(F)C(F)(F)F)nn3C)c2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide?
The InChIKey is FPZBRFUFWUREKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F9N5O2/c1-10-3-4-11(7-14(10)16(37)33-13-5-6-13)12-8-32-36(9-12)18-15(20(24,25)26)17(34-35(18)2)38-22(30,31)19(23)21(27,28)29/h3-4,7-9,13,19H,5-6H2,1-2H3,(H,33,37).
What are the key properties of N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide?
N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide has a molecular weight of 555.40 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide is sourced from PubChem (CID 129306071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).