ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate

C19H30N4O5S — CID 71181519

IUPACethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C(=O)C1CCCCC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H30N4O5S/c1-3-28-19(25)16-13-20-21-17(16)23(18(24)14-7-5-4-6-8-14)15-9-11-22(12-10-15)29(2,26)27/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyWJEUXMSQKWERCX-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.92
Rot. Bonds6

About ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate

ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 71181519) has the molecular formula C19H30N4O5S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate
PubChem CID71181519
Molecular FormulaC19H30N4O5S
Molecular Weight426.54 g/mol
Exact Mass426.19
IUPAC Nameethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C(=O)C1CCCCC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H30N4O5S/c1-3-28-19(25)16-13-20-21-17(16)23(18(24)14-7-5-4-6-8-14)15-9-11-22(12-10-15)29(2,26)27/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyWJEUXMSQKWERCX-UHFFFAOYSA-N
XLogP1.92
TPSA112.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate
CID 58924568
ethyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 60910759
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 63165064
ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 60911817
ethyl 1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 161356645
ethyl 5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate;hydrochloride
CID 119990366
(2S,3S)-1-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105369
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-methyl-2-(1-methylsulfonylpiperidin-4-yl)-1H-imidazole-4-carboxylate
CID 138014077
ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713502
ethyl 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1H-pyrazole-4-carboxylate
CID 60911934

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate (CID 71181519) is ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1N(C(=O)C1CCCCC1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is WJEUXMSQKWERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5S/c1-3-28-19(25)16-13-20-21-17(16)23(18(24)14-7-5-4-6-8-14)15-9-11-22(12-10-15)29(2,26)27/h13-15H,3-12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate?
ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 71181519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).