1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H23F3N4O3S — CID 24895239

IUPAC1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H23F3N4O3S/c1-3-25-16(12-17(24-25)19(20,21)22)18(27)23-14-7-9-15(10-8-14)30(28,29)26-11-5-4-6-13(26)2/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,27)
InChIKeyOGKKNPYINZNBLU-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.74
Rot. Bonds5

About 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 24895239) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID24895239
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H23F3N4O3S/c1-3-25-16(12-17(24-25)19(20,21)22)18(27)23-14-7-9-15(10-8-14)30(28,29)26-11-5-4-6-13(26)2/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,27)
InChIKeyOGKKNPYINZNBLU-UHFFFAOYSA-N
XLogP3.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 57521469
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(4-fluorophenyl)-3-piperidinamine
CID 24790221
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4397834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24895441
N-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57521465
N-[4-(benzenesulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57521566
N-{4-[(ethylamino)sulfonyl]phenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 3243581
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4879018
N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895341
1-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895437
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895438

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 24895239) is 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is OGKKNPYINZNBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-3-25-16(12-17(24-25)19(20,21)22)18(27)23-14-7-9-15(10-8-14)30(28,29)26-11-5-4-6-13(26)2/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,27).
What are the key properties of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24895239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).