1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide

C17H16FN5O4S — CID 155235029

IUPAC1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(F)c1
InChIInChI=1S/C17H16FN5O4S/c1-11-8-20-12(9-19-11)10-21-17(24)15-5-6-23(22-15)28(25,26)16-4-3-13(27-2)7-14(16)18/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyQSARBQZICUGJJU-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.30
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide

1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 155235029) has the molecular formula C17H16FN5O4S and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID155235029
Molecular FormulaC17H16FN5O4S
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(F)c1
InChIInChI=1S/C17H16FN5O4S/c1-11-8-20-12(9-19-11)10-21-17(24)15-5-6-23(22-15)28(25,26)16-4-3-13(27-2)7-14(16)18/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyQSARBQZICUGJJU-UHFFFAOYSA-N
XLogP1.30
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (CID 155235029) is 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is COc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is QSARBQZICUGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O4S/c1-11-8-20-12(9-19-11)10-21-17(24)15-5-6-23(22-15)28(25,26)16-4-3-13(27-2)7-14(16)18/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155235029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).