N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H11F2N3OS2 — CID 55746673

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H11F2N3OS2/c16-15(17)23-10-5-3-9(4-6-10)18-14(21)12-8-11(19-20-12)13-2-1-7-22-13/h1-8,15H,(H,18,21)(H,19,20)
InChIKeyKSKKCDOWFOVATQ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.71
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55746673) has the molecular formula C15H11F2N3OS2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55746673
Molecular FormulaC15H11F2N3OS2
Molecular Weight351.40 g/mol
Exact Mass351.03
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H11F2N3OS2/c16-15(17)23-10-5-3-9(4-6-10)18-14(21)12-8-11(19-20-12)13-2-1-7-22-13/h1-8,15H,(H,18,21)(H,19,20)
InChIKeyKSKKCDOWFOVATQ-UHFFFAOYSA-N
XLogP4.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110332039
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119101290
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55853524
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402665
N-[(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 761333
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55792015
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55930525
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121084039
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509204

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55746673) is N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KSKKCDOWFOVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS2/c16-15(17)23-10-5-3-9(4-6-10)18-14(21)12-8-11(19-20-12)13-2-1-7-22-13/h1-8,15H,(H,18,21)(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55746673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).