4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C24H35N5O6S — CID 23503189

IUPAC4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCCCCOc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(C(N)=O)nn(CCN2CCOCC2)c1CC
InChIInChI=1S/C24H35N5O6S/c1-4-6-13-35-20-8-7-17(36(3,32)33)16-18(20)24(31)26-21-19(5-2)29(27-22(21)23(25)30)10-9-28-11-14-34-15-12-28/h7-8,16H,4-6,9-15H2,1-3H3,(H2,25,30)(H,26,31)
InChIKeyHPRRUPBLOQXXAG-UHFFFAOYSA-N
MW521.64 g/mol
LogP1.71
Rot. Bonds12

About 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 23503189) has the molecular formula C24H35N5O6S and a molecular weight of 521.64 g/mol. Its IUPAC name is 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID23503189
Molecular FormulaC24H35N5O6S
Molecular Weight521.64 g/mol
Exact Mass521.23
IUPAC Name4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCCCCOc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(C(N)=O)nn(CCN2CCOCC2)c1CC
InChIInChI=1S/C24H35N5O6S/c1-4-6-13-35-20-8-7-17(36(3,32)33)16-18(20)24(31)26-21-19(5-2)29(27-22(21)23(25)30)10-9-28-11-14-34-15-12-28/h7-8,16H,4-6,9-15H2,1-3H3,(H2,25,30)(H,26,31)
InChIKeyHPRRUPBLOQXXAG-UHFFFAOYSA-N
XLogP1.71
TPSA145.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-butoxy-5-methylsulfonylphenyl)-2-(2-morpholin-4-ylethyl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 142170296
2-butoxy-5-methylsulfonylbenzenecarbothioamide
CID 23503178
N'-amino-2-butoxy-5-methylsulfonylbenzenecarboximidamide
CID 67551251
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
1-[3-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)carbamoyl]-4-propoxyphenyl]sulfonylpiperidine-4-carboxylic acid
CID 142097085
methyl 5-methylsulfonyl-2-propoxybenzoate
CID 23503135
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
1-methyl-4-[[5-[[2-(1-methylpyrrolidin-2-yl)acetyl]sulfamoyl]-2-propoxybenzoyl]amino]-3-propylpyrazole-5-carboxamide
CID 67128534
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 23503189) is 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is CCCCOc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(C(N)=O)nn(CCN2CCOCC2)c1CC.
What is the InChIKey of 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is HPRRUPBLOQXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O6S/c1-4-6-13-35-20-8-7-17(36(3,32)33)16-18(20)24(31)26-21-19(5-2)29(27-22(21)23(25)30)10-9-28-11-14-34-15-12-28/h7-8,16H,4-6,9-15H2,1-3H3,(H2,25,30)(H,26,31).
What are the key properties of 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 521.64 g/mol, XLogP of 1.71, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butoxy-5-methylsulfonylbenzoyl)amino]-5-ethyl-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 23503189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).