2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide

C24H13ClF10N4O2 — CID 175736568

IUPAC2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide
SMILESN#CC1(NC(=O)c2ccccc2-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3OC(F)(F)F)c2)CC1
InChIInChI=1S/C24H13ClF10N4O2/c25-16-7-13(21(26,22(27,28)29)23(30,31)32)8-17(41-24(33,34)35)18(16)39-10-12(9-37-39)14-3-1-2-4-15(14)19(40)38-20(11-36)5-6-20/h1-4,7-10H,5-6H2,(H,38,40)
InChIKeyRFGGNZFMYSHJPW-UHFFFAOYSA-N
MW614.83 g/mol
LogP7.17
Rot. Bonds6

About 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide

2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide (PubChem CID 175736568) has the molecular formula C24H13ClF10N4O2 and a molecular weight of 614.83 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide.

Molecular Properties

Compound Name2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide
PubChem CID175736568
Molecular FormulaC24H13ClF10N4O2
Molecular Weight614.83 g/mol
Exact Mass614.06
IUPAC Name2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide
SMILESN#CC1(NC(=O)c2ccccc2-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3OC(F)(F)F)c2)CC1
InChIInChI=1S/C24H13ClF10N4O2/c25-16-7-13(21(26,22(27,28)29)23(30,31)32)8-17(41-24(33,34)35)18(16)39-10-12(9-37-39)14-3-1-2-4-15(14)19(40)38-20(11-36)5-6-20/h1-4,7-10H,5-6H2,(H,38,40)
InChIKeyRFGGNZFMYSHJPW-UHFFFAOYSA-N
XLogP7.17
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.83
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide?
The IUPAC name of 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide (CID 175736568) is 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide.
What is the SMILES notation for 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide?
The canonical SMILES for 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide is N#CC1(NC(=O)c2ccccc2-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3OC(F)(F)F)c2)CC1.
What is the InChIKey of 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide?
The InChIKey is RFGGNZFMYSHJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF10N4O2/c25-16-7-13(21(26,22(27,28)29)23(30,31)32)8-17(41-24(33,34)35)18(16)39-10-12(9-37-39)14-3-1-2-4-15(14)19(40)38-20(11-36)5-6-20/h1-4,7-10H,5-6H2,(H,38,40).
What are the key properties of 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide?
2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide has a molecular weight of 614.83 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-(1-cyanocyclopropyl)benzamide is sourced from PubChem (CID 175736568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).