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

C18H18N4O4S — CID 155234560

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccc(C)cn3)n2)cc1
InChIInChI=1S/C18H18N4O4S/c1-13-3-4-14(19-11-13)12-20-18(23)17-9-10-22(21-17)27(24,25)16-7-5-15(26-2)6-8-16/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyTXEMJBNSEZSQRR-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.76
Rot. Bonds6

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

1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 155234560) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID155234560
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccc(C)cn3)n2)cc1
InChIInChI=1S/C18H18N4O4S/c1-13-3-4-14(19-11-13)12-20-18(23)17-9-10-22(21-17)27(24,25)16-7-5-15(26-2)6-8-16/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyTXEMJBNSEZSQRR-UHFFFAOYSA-N
XLogP1.76
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 155244387
1-(2-fluoro-4-methoxyphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 155235029
methyl 3-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propanoate
CID 19780306
1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 155235025
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
CID 20910480
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
(NE,R)-2-methyl-N-[1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propylidene]propane-2-sulfinamide
CID 58084255
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide (CID 155234560) is 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide is COc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccc(C)cn3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is TXEMJBNSEZSQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-13-3-4-14(19-11-13)12-20-18(23)17-9-10-22(21-17)27(24,25)16-7-5-15(26-2)6-8-16/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155234560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).