N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide

C12H11F2N3OS — CID 47321455

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2SC(F)F)n[nH]1
InChIInChI=1S/C12H11F2N3OS/c1-7-6-9(17-16-7)11(18)15-8-4-2-3-5-10(8)19-12(13)14/h2-6,12H,1H3,(H,15,18)(H,16,17)
InChIKeyPXDJEAZUDCTJIA-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.29
Rot. Bonds4

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

N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47321455) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID47321455
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2SC(F)F)n[nH]1
InChIInChI=1S/C12H11F2N3OS/c1-7-6-9(17-16-7)11(18)15-8-4-2-3-5-10(8)19-12(13)14/h2-6,12H,1H3,(H,15,18)(H,16,17)
InChIKeyPXDJEAZUDCTJIA-UHFFFAOYSA-N
XLogP3.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806098
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 81318925
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 47470885
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 47321455) is N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2SC(F)F)n[nH]1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PXDJEAZUDCTJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c1-7-6-9(17-16-7)11(18)15-8-4-2-3-5-10(8)19-12(13)14/h2-6,12H,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47321455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).