4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide

C18H25ClN4O3S — CID 60552295

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
SMILESCCN(CCCNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H25ClN4O3S/c1-5-22(27(4,25)26)12-6-11-20-18(24)15-7-9-16(10-8-15)23-14(3)17(19)13(2)21-23/h7-10H,5-6,11-12H2,1-4H3,(H,20,24)
InChIKeyOPALPWVNCLTBFW-UHFFFAOYSA-N
MW412.94 g/mol
LogP2.54
Rot. Bonds8

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide (PubChem CID 60552295) has the molecular formula C18H25ClN4O3S and a molecular weight of 412.94 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
PubChem CID60552295
Molecular FormulaC18H25ClN4O3S
Molecular Weight412.94 g/mol
Exact Mass412.13
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
SMILESCCN(CCCNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H25ClN4O3S/c1-5-22(27(4,25)26)12-6-11-20-18(24)15-7-9-16(10-8-15)23-14(3)17(19)13(2)21-23/h7-10H,5-6,11-12H2,1-4H3,(H,20,24)
InChIKeyOPALPWVNCLTBFW-UHFFFAOYSA-N
XLogP2.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55716610
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 52718659
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 52718736
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 56578381
1-(3-chlorophenyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-methyltriazole-4-carboxamide
CID 55955481
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
CID 48679346
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
CID 60521372

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide (CID 60552295) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide is CCN(CCCNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
The InChIKey is OPALPWVNCLTBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3S/c1-5-22(27(4,25)26)12-6-11-20-18(24)15-7-9-16(10-8-15)23-14(3)17(19)13(2)21-23/h7-10H,5-6,11-12H2,1-4H3,(H,20,24).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide has a molecular weight of 412.94 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide is sourced from PubChem (CID 60552295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).