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

C18H19N5O4S — CID 155244387

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(C)c1
InChIInChI=1S/C18H19N5O4S/c1-12-8-15(27-3)4-5-17(12)28(25,26)23-7-6-16(22-23)18(24)21-11-14-10-19-13(2)9-20-14/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyKHCIEVAMFRUXAF-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.47
Rot. Bonds6

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

1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 155244387) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID155244387
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(C)c1
InChIInChI=1S/C18H19N5O4S/c1-12-8-15(27-3)4-5-17(12)28(25,26)23-7-6-16(22-23)18(24)21-11-14-10-19-13(2)9-20-14/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyKHCIEVAMFRUXAF-UHFFFAOYSA-N
XLogP1.47
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (CID 155244387) is 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is COc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is KHCIEVAMFRUXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12-8-15(27-3)4-5-17(12)28(25,26)23-7-6-16(22-23)18(24)21-11-14-10-19-13(2)9-20-14/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155244387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).