1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C19H25N5O3 — CID 133356281

IUPAC1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1
InChIInChI=1S/C19H25N5O3/c1-13-4-6-15(7-5-13)12-20-18(25)16-8-10-23(11-9-16)19-17(24(26)27)14(2)21-22(19)3/h4-7,16H,8-12H2,1-3H3,(H,20,25)
InChIKeyAFXVUHZOCXWCND-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.48
Rot. Bonds5

About 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133356281) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133356281
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1
InChIInChI=1S/C19H25N5O3/c1-13-4-6-15(7-5-13)12-20-18(25)16-8-10-23(11-9-16)19-17(24(26)27)14(2)21-22(19)3/h4-7,16H,8-12H2,1-3H3,(H,20,25)
InChIKeyAFXVUHZOCXWCND-UHFFFAOYSA-N
XLogP2.48
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-imidazo[1,5-a]pyrazin-8-yl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 154780715
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133492295
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-methylpiperidine-4-carboxylic acid
CID 106742657
1,3-dimethyl-N-[(4-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 43533042
3-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315434
1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20886642
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133356281) is 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1.
What is the InChIKey of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AFXVUHZOCXWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-4-6-15(7-5-13)12-20-18(25)16-8-10-23(11-9-16)19-17(24(26)27)14(2)21-22(19)3/h4-7,16H,8-12H2,1-3H3,(H,20,25).
What are the key properties of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133356281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).