4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide

C16H19ClN4O4S — CID 19477261

IUPAC4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H19ClN4O4S/c1-2-21-15(14(17)11-18-21)16(22)19-12-3-5-13(6-4-12)26(23,24)20-7-9-25-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,19,22)
InChIKeyVFNURUGBBZOIDZ-UHFFFAOYSA-N
MW398.87 g/mol
LogP1.83
Rot. Bonds5

About 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide

4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide (PubChem CID 19477261) has the molecular formula C16H19ClN4O4S and a molecular weight of 398.87 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide
PubChem CID19477261
Molecular FormulaC16H19ClN4O4S
Molecular Weight398.87 g/mol
Exact Mass398.08
IUPAC Name4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H19ClN4O4S/c1-2-21-15(14(17)11-18-21)16(22)19-12-3-5-13(6-4-12)26(23,24)20-7-9-25-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,19,22)
InChIKeyVFNURUGBBZOIDZ-UHFFFAOYSA-N
XLogP1.83
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 832676
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CID 832695
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CID 1152899
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
4-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)thiadiazole-5-carboxamide
CID 7424192
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide (CID 19477261) is 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide?
The InChIKey is VFNURUGBBZOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4S/c1-2-21-15(14(17)11-18-21)16(22)19-12-3-5-13(6-4-12)26(23,24)20-7-9-25-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,19,22).
What are the key properties of 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19477261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).