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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Related Compounds

1-[4-[3-(Trifluoromethyl)pyrazol-1-yl]phenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 2809255
3-(trifluoromethyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-1-carboxamide
CID 2809206
N-(4-aminophenyl)-N-(trifluoromethyl)-1h-pyrazole-1-carboxamide
CID 129887122
4-bromo-N-phenylpyrazole-1-carboxamide
CID 804760
N-phenylpyrazole-1-carboxamide
CID 3495353
(Phenylamino)pyrazolylmethane-1-thione
CID 20788050
[(4-Fluorophenyl)amino]pyrazolylmethane-1-thione
CID 20788051
3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide
CID 68848962
N-(2,6-difluoro-3-(propylsulfonamido)phenyl)-1H-pyrazole-1-carboxamide
CID 70312792
N-(2-fluorophenyl)pyrazole-1-carboxamide
CID 90700477
N-(3,5-difluorophenyl)pyrazole-1-carboxamide
CID 91214273
N-(2,5-difluorophenyl)pyrazole-1-carboxamide
CID 91805682

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).