N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide

C10H8F5N3OS — CID 122483008

IUPACN-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)n1cccn1
InChIInChI=1S/C10H8F5N3OS/c11-20(12,13,14,15)9-4-2-8(3-5-9)17-10(19)18-7-1-6-16-18/h1-7H,(H,17,19)
InChIKeyJPJMOKCQOIGOAP-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.62
Rot. Bonds2

About N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide

N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide (PubChem CID 122483008) has the molecular formula C10H8F5N3OS and a molecular weight of 313.25 g/mol. Its IUPAC name is N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide
PubChem CID122483008
Molecular FormulaC10H8F5N3OS
Molecular Weight313.25 g/mol
Exact Mass313.03
IUPAC NameN-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)n1cccn1
InChIInChI=1S/C10H8F5N3OS/c11-20(12,13,14,15)9-4-2-8(3-5-9)17-10(19)18-7-1-6-16-18/h1-7H,(H,17,19)
InChIKeyJPJMOKCQOIGOAP-UHFFFAOYSA-N
XLogP4.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide (CID 122483008) is N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)n1cccn1.
What is the InChIKey of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide?
The InChIKey is JPJMOKCQOIGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3OS/c11-20(12,13,14,15)9-4-2-8(3-5-9)17-10(19)18-7-1-6-16-18/h1-7H,(H,17,19).
What are the key properties of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide?
N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide has a molecular weight of 313.25 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 122483008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).