2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide

C20H11ClF9N5O3S — CID 142448843

IUPAC2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide
SMILESCn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1-c1cc(-c2cc(C(=O)NC3(C#N)CC3)c(Cl)s2)on1
InChIInChI=1S/C20H11ClF9N5O3S/c1-35-12(11(18(23,24)25)15(33-35)37-20(29,30)16(22)19(26,27)28)8-5-9(38-34-8)10-4-7(13(21)39-10)14(36)32-17(6-31)2-3-17/h4-5,16H,2-3H2,1H3,(H,32,36)
InChIKeyBOIGEYICOJMCBV-UHFFFAOYSA-N
MW607.84 g/mol
LogP6.13
Rot. Bonds7

About 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide

2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide (PubChem CID 142448843) has the molecular formula C20H11ClF9N5O3S and a molecular weight of 607.84 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide
PubChem CID142448843
Molecular FormulaC20H11ClF9N5O3S
Molecular Weight607.84 g/mol
Exact Mass607.01
IUPAC Name2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide
SMILESCn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1-c1cc(-c2cc(C(=O)NC3(C#N)CC3)c(Cl)s2)on1
InChIInChI=1S/C20H11ClF9N5O3S/c1-35-12(11(18(23,24)25)15(33-35)37-20(29,30)16(22)19(26,27)28)8-5-9(38-34-8)10-4-7(13(21)39-10)14(36)32-17(6-31)2-3-17/h4-5,16H,2-3H2,1H3,(H,32,36)
InChIKeyBOIGEYICOJMCBV-UHFFFAOYSA-N
XLogP6.13
TPSA105.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.84
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide 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-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide (CID 142448843) is 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide is Cn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1-c1cc(-c2cc(C(=O)NC3(C#N)CC3)c(Cl)s2)on1.
What is the InChIKey of 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide?
The InChIKey is BOIGEYICOJMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF9N5O3S/c1-35-12(11(18(23,24)25)15(33-35)37-20(29,30)16(22)19(26,27)28)8-5-9(38-34-8)10-4-7(13(21)39-10)14(36)32-17(6-31)2-3-17/h4-5,16H,2-3H2,1H3,(H,32,36).
What are the key properties of 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide?
2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide has a molecular weight of 607.84 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 142448843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).