N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide

C14H15F3N4O3S — CID 19932209

IUPACN,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H15F3N4O3S/c1-3-20(4-2)13(22)21-8-7-12(19-21)25(23,24)11-6-5-10(9-18-11)14(15,16)17/h5-9H,3-4H2,1-2H3
InChIKeyWXNKFMCCWIKZKJ-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.44
Rot. Bonds4

About N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide

N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide (PubChem CID 19932209) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide
PubChem CID19932209
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC NameN,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H15F3N4O3S/c1-3-20(4-2)13(22)21-8-7-12(19-21)25(23,24)11-6-5-10(9-18-11)14(15,16)17/h5-9H,3-4H2,1-2H3
InChIKeyWXNKFMCCWIKZKJ-UHFFFAOYSA-N
XLogP2.44
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19932074
N,N-diethyl-3-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazole-1-carboxamide
CID 19932088
N,N-diethyl-3-[(6-methyl-2-pyridinyl)sulfonyl]pyrazole-1-carboxamide
CID 19931910
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 167877569
2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 41481145
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364648
N,N-diethyl-3-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazole-1-carboxamide
CID 19931958
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 167942029
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide (CID 19932209) is N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide?
The InChIKey is WXNKFMCCWIKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-3-20(4-2)13(22)21-8-7-12(19-21)25(23,24)11-6-5-10(9-18-11)14(15,16)17/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide?
N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide is sourced from PubChem (CID 19932209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).