1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide

C16H14Cl2F5N5OS — CID 15979110

IUPAC1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCN(C)c1c(C2(C(N)=O)CC2)c(C#N)nn1-c1c(Cl)cc(S(F)(F)(F)(F)F)cc1Cl
InChIInChI=1S/C16H14Cl2F5N5OS/c1-27(2)14-12(16(3-4-16)15(25)29)11(7-24)26-28(14)13-9(17)5-8(6-10(13)18)30(19,20,21,22)23/h5-6H,3-4H2,1-2H3,(H2,25,29)
InChIKeyUHLRFDOFKPGDFD-UHFFFAOYSA-N
MW490.29 g/mol
LogP5.29
Rot. Bonds5

About 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide

1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 15979110) has the molecular formula C16H14Cl2F5N5OS and a molecular weight of 490.29 g/mol. Its IUPAC name is 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID15979110
Molecular FormulaC16H14Cl2F5N5OS
Molecular Weight490.29 g/mol
Exact Mass489.02
IUPAC Name1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCN(C)c1c(C2(C(N)=O)CC2)c(C#N)nn1-c1c(Cl)cc(S(F)(F)(F)(F)F)cc1Cl
InChIInChI=1S/C16H14Cl2F5N5OS/c1-27(2)14-12(16(3-4-16)15(25)29)11(7-24)26-28(14)13-9(17)5-8(6-10(13)18)30(19,20,21,22)23/h5-6H,3-4H2,1-2H3,(H2,25,29)
InChIKeyUHLRFDOFKPGDFD-UHFFFAOYSA-N
XLogP5.29
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.29
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-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 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 15979110) is 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide is CN(C)c1c(C2(C(N)=O)CC2)c(C#N)nn1-c1c(Cl)cc(S(F)(F)(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is UHLRFDOFKPGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F5N5OS/c1-27(2)14-12(16(3-4-16)15(25)29)11(7-24)26-28(14)13-9(17)5-8(6-10(13)18)30(19,20,21,22)23/h5-6H,3-4H2,1-2H3,(H2,25,29).
What are the key properties of 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide?
1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 490.29 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-1-[2,6-dichloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(dimethylamino)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 15979110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).