N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C16H17F3N4O5S — CID 20613448

IUPACN-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NO)c1n[nH]c(C(F)(F)F)c1S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H17F3N4O5S/c17-16(18,19)14-13(12(20-21-14)15(24)22-25)29(26,27)23-8-6-11(7-9-23)28-10-4-2-1-3-5-10/h1-5,11,25H,6-9H2,(H,20,21)(H,22,24)
InChIKeyDZXFEKLDFPALBK-UHFFFAOYSA-N
MW434.40 g/mol
LogP1.78
Rot. Bonds5

About N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 20613448) has the molecular formula C16H17F3N4O5S and a molecular weight of 434.40 g/mol. Its IUPAC name is N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID20613448
Molecular FormulaC16H17F3N4O5S
Molecular Weight434.40 g/mol
Exact Mass434.09
IUPAC NameN-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NO)c1n[nH]c(C(F)(F)F)c1S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H17F3N4O5S/c17-16(18,19)14-13(12(20-21-14)15(24)22-25)29(26,27)23-8-6-11(7-9-23)28-10-4-2-1-3-5-10/h1-5,11,25H,6-9H2,(H,20,21)(H,22,24)
InChIKeyDZXFEKLDFPALBK-UHFFFAOYSA-N
XLogP1.78
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607
2-(hydroxycarbamoyl)-3-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613388
2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886
azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide
CID 158041104
N-hydroxy-2-[4-(4-methylphenoxy)piperidin-1-yl]sulfonyl-6-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]benzamide
CID 142207407
N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
CID 142206895
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481
4-[1-[2-[(3-phenoxycyclobutyl)amino]-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine-2-carboxamide
CID 167916153
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid
CID 166258371

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 20613448) is N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(NO)c1n[nH]c(C(F)(F)F)c1S(=O)(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DZXFEKLDFPALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O5S/c17-16(18,19)14-13(12(20-21-14)15(24)22-25)29(26,27)23-8-6-11(7-9-23)28-10-4-2-1-3-5-10/h1-5,11,25H,6-9H2,(H,20,21)(H,22,24).
What are the key properties of N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20613448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).