1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide

C19H14F6N4O3S — CID 90100561

IUPAC1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H14F6N4O3S/c1-29-15(9-16(28-29)19(23,24)25)17(30)27-10-12-8-14(5-6-26-12)33(31,32)13-4-2-3-11(7-13)18(20,21)22/h2-9H,10H2,1H3,(H,27,30)
InChIKeyOWEFIXFDRJODJU-UHFFFAOYSA-N
MW492.40 g/mol
LogP3.62
Rot. Bonds5

About 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide

1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide (PubChem CID 90100561) has the molecular formula C19H14F6N4O3S and a molecular weight of 492.40 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide
PubChem CID90100561
Molecular FormulaC19H14F6N4O3S
Molecular Weight492.40 g/mol
Exact Mass492.07
IUPAC Name1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H14F6N4O3S/c1-29-15(9-16(28-29)19(23,24)25)17(30)27-10-12-8-14(5-6-26-12)33(31,32)13-4-2-3-11(7-13)18(20,21)22/h2-9H,10H2,1H3,(H,27,30)
InChIKeyOWEFIXFDRJODJU-UHFFFAOYSA-N
XLogP3.62
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide (CID 90100561) is 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NCc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide?
The InChIKey is OWEFIXFDRJODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O3S/c1-29-15(9-16(28-29)19(23,24)25)17(30)27-10-12-8-14(5-6-26-12)33(31,32)13-4-2-3-11(7-13)18(20,21)22/h2-9H,10H2,1H3,(H,27,30).
What are the key properties of 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide?
1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide has a molecular weight of 492.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90100561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).