2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C17H18ClF3N4O4S — CID 19523383

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18ClF3N4O4S/c1-11-15(18)16(17(19,20)21)23-25(11)10-14(26)22-12-2-4-13(5-3-12)30(27,28)24-6-8-29-9-7-24/h2-5H,6-10H2,1H3,(H,22,26)
InChIKeySEXOOEBQOSBTAD-UHFFFAOYSA-N
MW466.87 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 19523383) has the molecular formula C17H18ClF3N4O4S and a molecular weight of 466.87 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID19523383
Molecular FormulaC17H18ClF3N4O4S
Molecular Weight466.87 g/mol
Exact Mass466.07
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18ClF3N4O4S/c1-11-15(18)16(17(19,20)21)23-25(11)10-14(26)22-12-2-4-13(5-3-12)30(27,28)24-6-8-29-9-7-24/h2-5H,6-10H2,1H3,(H,22,26)
InChIKeySEXOOEBQOSBTAD-UHFFFAOYSA-N
XLogP2.52
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55810725
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19515729
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55923829
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4765482
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-(4-chlorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanone
CID 58622952
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 744105
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 19523383) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SEXOOEBQOSBTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O4S/c1-11-15(18)16(17(19,20)21)23-25(11)10-14(26)22-12-2-4-13(5-3-12)30(27,28)24-6-8-29-9-7-24/h2-5H,6-10H2,1H3,(H,22,26).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 466.87 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 19523383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).