1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide

C19H26N4O4S — CID 53142973

IUPAC1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)cc2)c(S(=O)(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4O4S/c1-4-22-13-17(18(24)20-15-5-7-16(27-3)8-6-15)19(21-22)28(25,26)23-11-9-14(2)10-12-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)
InChIKeyOKWBDEUBOMALMO-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.58
Rot. Bonds6

About 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide

1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide (PubChem CID 53142973) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
PubChem CID53142973
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)cc2)c(S(=O)(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4O4S/c1-4-22-13-17(18(24)20-15-5-7-16(27-3)8-6-15)19(21-22)28(25,26)23-11-9-14(2)10-12-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)
InChIKeyOKWBDEUBOMALMO-UHFFFAOYSA-N
XLogP2.58
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92638029
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
CID 53142711
6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
CID 33075683
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142683
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
CID 1078880
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 55350935

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide (CID 53142973) is 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(OC)cc2)c(S(=O)(=O)N2CCC(C)CC2)n1.
What is the InChIKey of 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide?
The InChIKey is OKWBDEUBOMALMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-22-13-17(18(24)20-15-5-7-16(27-3)8-6-15)19(21-22)28(25,26)23-11-9-14(2)10-12-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24).
What are the key properties of 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide?
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).