5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide

C12H11F2N3O3S — CID 167334368

IUPAC5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)F)[nH]n2)c1
InChIInChI=1S/C12H11F2N3O3S/c1-21(19,20)8-4-2-3-7(5-8)15-12(18)10-6-9(11(13)14)16-17-10/h2-6,11H,1H3,(H,15,18)(H,16,17)
InChIKeyLJIOSXBONMMKLK-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.00
Rot. Bonds4

About 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 167334368) has the molecular formula C12H11F2N3O3S and a molecular weight of 315.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID167334368
Molecular FormulaC12H11F2N3O3S
Molecular Weight315.30 g/mol
Exact Mass315.05
IUPAC Name5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)F)[nH]n2)c1
InChIInChI=1S/C12H11F2N3O3S/c1-21(19,20)8-4-2-3-7(5-8)15-12(18)10-6-9(11(13)14)16-17-10/h2-6,11H,1H3,(H,15,18)(H,16,17)
InChIKeyLJIOSXBONMMKLK-UHFFFAOYSA-N
XLogP2.00
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide (CID 167334368) is 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)F)[nH]n2)c1.
What is the InChIKey of 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LJIOSXBONMMKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3S/c1-21(19,20)8-4-2-3-7(5-8)15-12(18)10-6-9(11(13)14)16-17-10/h2-6,11H,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(3-methylsulfonylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167334368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).