N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C21H19Cl2N5O3 — CID 46280275

IUPACN-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CCNCC1
InChIInChI=1S/C21H19Cl2N5O3/c22-14-1-6-19(18(23)11-14)26-21(29)17-12-25-27(20(17)13-7-9-24-10-8-13)15-2-4-16(5-3-15)28(30)31/h1-6,11-13,24H,7-10H2,(H,26,29)
InChIKeyHNVUNQXBNGIIHQ-UHFFFAOYSA-N
MW460.32 g/mol
LogP4.81
Rot. Bonds5

About N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 46280275) has the molecular formula C21H19Cl2N5O3 and a molecular weight of 460.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID46280275
Molecular FormulaC21H19Cl2N5O3
Molecular Weight460.32 g/mol
Exact Mass459.09
IUPAC NameN-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CCNCC1
InChIInChI=1S/C21H19Cl2N5O3/c22-14-1-6-19(18(23)11-14)26-21(29)17-12-25-27(20(17)13-7-9-24-10-8-13)15-2-4-16(5-3-15)28(30)31/h1-6,11-13,24H,7-10H2,(H,26,29)
InChIKeyHNVUNQXBNGIIHQ-UHFFFAOYSA-N
XLogP4.81
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.81
H-Bond Donors ≤ 52
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

N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
CID 53347568
N-(4-ethylphenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053274
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
(4-methylpiperazin-1-yl)-[1-(4-nitrophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 46280255
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
N-(3-ethoxypropyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053286
N-(5-chloro-2,4-dimethoxyphenyl)-5-piperidin-4-yl-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146053416
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 46280275) is N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CCNCC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is HNVUNQXBNGIIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O3/c22-14-1-6-19(18(23)11-14)26-21(29)17-12-25-27(20(17)13-7-9-24-10-8-13)15-2-4-16(5-3-15)28(30)31/h1-6,11-13,24H,7-10H2,(H,26,29).
What are the key properties of N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 460.32 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46280275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).