N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide

C16H19N5O5S — CID 19405146

IUPACN-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1
InChIInChI=1S/C16H19N5O5S/c1-19-9-8-15(18-19)17-16(22)12-6-10-20(11-7-12)27(25,26)14-4-2-13(3-5-14)21(23)24/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,17,18,22)
InChIKeyWLPKIKMUKNCWHV-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.37
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide

N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 19405146) has the molecular formula C16H19N5O5S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID19405146
Molecular FormulaC16H19N5O5S
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1
InChIInChI=1S/C16H19N5O5S/c1-19-9-8-15(18-19)17-16(22)12-6-10-20(11-7-12)27(25,26)14-4-2-13(3-5-14)21(23)24/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,17,18,22)
InChIKeyWLPKIKMUKNCWHV-UHFFFAOYSA-N
XLogP1.37
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 51238050
1-(4-methylsulfanylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 16935132
1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 18092782
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
1-(4-methylsulfonylphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 16935188
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19402674
1-(4-methylsulfanylphenyl)sulfonyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16934370
1-(4-fluorophenyl)sulfonyl-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262550
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19284740
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19411725
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19336339
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19285252

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide (CID 19405146) is N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide is Cn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WLPKIKMUKNCWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5S/c1-19-9-8-15(18-19)17-16(22)12-6-10-20(11-7-12)27(25,26)14-4-2-13(3-5-14)21(23)24/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,17,18,22).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide?
N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19405146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).